data_2eog_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 2eog _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.497 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.77 0.237 . . . . 0.0 112.35 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.497 ' CE2' ' HG2' ' A' ' 10' ' ' PRO . 13.3 m-85 -131.48 132.75 44.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.78 90.44 0.12 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.438 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.1 t -42.85 144.57 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.7 t -98.64 -42.95 7.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.522 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 0.3 OUTLIER -38.83 -60.19 0.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -97.51 -44.13 6.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.22 43.73 1.34 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -111.17 177.65 4.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.48 159.18 42.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 1.6 m-85 -146.41 112.2 5.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.923 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -41.25 -41.69 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -109.51 159.26 17.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -68.44 -55.11 12.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -39.71 -53.12 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -45.68 -49.51 14.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.1 tp -55.08 -59.65 4.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.0 mt -45.87 -62.7 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.5 mt -41.6 -38.74 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.077 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -72.81 -50.88 21.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 55.4 mmm -41.1 -34.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -40.93 -48.13 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.4 p -57.0 -48.78 77.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.522 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 37.6 m-70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.782 0.242 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 23' ' ' LYS . 61.3 m-85 -114.84 157.21 23.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.68 134.99 2.83 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.531 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.5 t -77.12 120.24 21.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 110.877 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.1 p -100.34 39.57 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -125.25 -54.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.2 p -110.31 -44.4 3.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.37 84.2 0.51 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -156.46 167.65 29.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.47 172.39 10.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.113 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.593 ' CE1' ' CD1' ' A' ' 26' ' ' LEU . 5.8 m-85 -150.67 123.63 8.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.413 ' C ' ' HD2' ' A' ' 21' ' ' ARG . 0.8 OUTLIER -60.07 -30.87 69.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.4 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 35.7 t -127.66 178.16 6.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 11' ' ' TYR . 11.5 ptmt -74.95 -40.93 60.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.1 m -59.44 -50.98 71.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -46.81 -30.0 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.593 ' CD1' ' CE1' ' A' ' 20' ' ' PHE . 19.1 tp -78.48 -46.53 19.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.4 mt -58.97 -40.14 79.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 81.7 mt -62.72 -27.25 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -95.4 -21.89 18.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 31' ' ' ARG . 4.5 mmt -80.24 -49.6 11.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 30' ' ' MET . 16.0 ptp180 -36.09 -35.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.6 p -74.58 -49.53 21.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.917 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.402 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.771 0.238 . . . . 0.0 112.343 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.402 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 59.1 m-85 -121.07 80.13 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.83 109.32 3.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.5 t -43.71 112.75 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.819 0.342 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.1 t -92.84 41.32 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -127.88 -49.23 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.0 p -116.2 -44.34 2.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.57 68.63 0.15 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -131.65 171.54 13.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.343 . . . . 0.0 110.842 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -137.77 145.61 42.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.553 ' CE1' ' CD1' ' A' ' 26' ' ' LEU . 14.9 m-85 -143.04 147.38 34.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -96.39 17.54 15.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.834 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.4 t -159.77 121.16 3.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -38.16 -45.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 25' ' ' TYR . 2.2 t -57.71 -62.06 2.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.448 ' C ' ' O ' ' A' ' 24' ' ' SER . 6.0 m-85 -34.57 -43.23 0.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.553 ' CD1' ' CE1' ' A' ' 20' ' ' PHE . 65.6 tp -58.47 -56.45 21.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 30' ' ' MET . 68.8 mt -47.47 -60.52 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.432 ' CD1' ' O ' ' A' ' 24' ' ' SER . 5.4 mp -43.75 -24.23 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.093 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -95.76 -32.52 12.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 27' ' ' ILE . 31.4 mtp -70.89 -32.43 69.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.457 ' HG3' ' N ' ' A' ' 32' ' ' THR . 29.2 ptt180 -41.71 -41.3 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.457 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 43.7 p -62.91 -51.17 67.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.956 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.55 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.15 0 CA-C-O 120.803 0.251 . . . . 0.0 112.362 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.55 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 19.4 m-85 -111.15 111.5 22.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.81 110.49 0.92 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.515 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.0 t -45.47 133.81 7.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 t -107.64 42.67 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -134.18 -46.87 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.4 p -120.99 -45.86 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.02 85.91 0.75 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.444 ' HD2' ' CE1' ' A' ' 29' ' ' HIS . 71.6 mttt -154.44 160.5 41.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.405 ' C ' ' CG ' ' A' ' 20' ' ' PHE . . . -120.43 167.17 12.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.102 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 26' ' ' LEU . 11.7 m-85 -156.69 113.17 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.85 -29.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.6 m -118.45 153.96 33.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.523 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 33.6 pttt -68.57 -36.81 79.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.456 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 39.6 p -57.64 -56.63 19.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -43.45 -37.23 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.416 ' HB2' ' CD1' ' A' ' 20' ' ' PHE . 12.7 tp -68.44 -47.73 66.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.953 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.6 mt -50.38 -61.98 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.439 ' CD1' ' O ' ' A' ' 24' ' ' SER . 5.1 mp -50.86 -32.98 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.444 ' CE1' ' HD2' ' A' ' 18' ' ' LYS . 65.6 t60 -76.13 -22.4 55.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.488 ' O ' ' N ' ' A' ' 33' ' ' HIS . 88.8 mmm -91.49 -58.66 2.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.452 ' HD2' ' N ' ' A' ' 32' ' ' THR . 0.7 OUTLIER -36.35 -33.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.452 ' N ' ' HD2' ' A' ' 31' ' ' ARG . 8.0 t -74.31 -44.59 51.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.488 ' N ' ' O ' ' A' ' 30' ' ' MET . 6.4 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.493 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.78 0.242 . . . . 0.0 112.314 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.5 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 9.6 m-85 -130.07 141.22 50.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.16 132.76 3.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.9 t -83.14 111.72 19.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.351 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 15' ' ' GLU . 7.5 t -76.24 -39.79 53.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' SER . 6.2 mm-40 -37.84 -57.61 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.849 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.7 p -106.4 -41.55 5.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.33 74.43 0.7 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -137.76 179.19 6.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.06 155.89 46.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.074 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -148.09 111.63 5.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -38.52 -41.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.7 p -112.34 169.95 8.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 11' ' ' TYR . 17.4 ttpt -77.43 -53.64 7.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.5 m -41.6 -47.64 3.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -50.59 -45.98 57.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.8 tp -53.03 -56.93 12.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 30' ' ' MET . 49.4 mt -48.4 -57.23 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 87.3 mt -42.73 -25.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -97.02 -33.51 11.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 27' ' ' ILE . 20.8 mtp -67.73 -32.72 73.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.411 ' NH1' ' HB2' ' A' ' 31' ' ' ARG . 2.0 ptm85 -45.68 -32.83 2.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.7 p -79.69 -52.6 7.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 179.941 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.508 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 54.2 Cg_endo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.769 0.237 . . . . 0.0 112.363 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.508 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 7.9 m-85 -128.77 107.98 10.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 13' ' ' CYS . . . -120.48 84.37 0.37 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.507 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 12' ' ' GLY . 33.8 t -36.3 138.48 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.812 0.339 . . . . 0.0 110.923 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.4 t -101.16 -35.55 9.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.549 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 3.5 mp0 -43.73 -54.25 5.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.9 p -109.28 -44.92 3.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.73 55.33 0.42 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.438 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -121.03 175.81 5.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.19 154.46 51.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.468 ' CE2' HD11 ' A' ' 26' ' ' LEU . 26.2 m-85 -141.13 112.38 7.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.2 ttp180 -41.08 -39.67 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 61.6 p -113.39 179.85 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -87.58 -52.12 5.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.2 t -43.34 -46.02 6.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -53.76 -49.09 68.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.906 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.468 HD11 ' CE2' ' A' ' 20' ' ' PHE . 32.2 tp -50.39 -55.84 14.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.4 mp -52.09 -46.76 43.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 79.0 mt -55.4 -16.11 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -107.18 -34.61 7.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 68.8 mmm -67.4 -26.97 66.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -52.71 -34.27 51.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 73.7 p -79.81 -24.37 41.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.549 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 7.1 m-70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.502 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.794 0.248 . . . . 0.0 112.344 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.502 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 11.3 m-85 -117.12 100.75 7.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -130.71 122.92 3.71 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.44 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.5 t -65.72 152.45 44.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.2 t -115.64 -36.58 4.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -45.53 -45.5 13.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.0 p -115.21 -43.59 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 111.52 76.48 0.82 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.53 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.416 ' HD2' ' CE1' ' A' ' 29' ' ' HIS . 92.3 mttt -137.48 -178.16 5.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.735 0.302 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -137.12 164.87 27.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.614 ' CE2' ' CD1' ' A' ' 26' ' ' LEU . 17.5 m-85 -153.28 125.37 7.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -63.6 -26.86 68.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.7 m -140.04 -178.9 5.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.492 ' HE3' ' CD1' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -70.45 -66.11 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 23' ' ' LYS . 96.8 p -34.51 -53.34 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -47.03 -44.52 20.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.614 ' CD1' ' CE2' ' A' ' 20' ' ' PHE . 25.7 tp -62.21 -55.13 31.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.7 mp -47.88 -53.24 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.9 mt -46.74 -20.5 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.416 ' CE1' ' HD2' ' A' ' 18' ' ' LYS . 32.0 t60 -101.96 -48.32 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.9 mmt -45.82 -34.98 4.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.44 ' CZ ' ' CB ' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -49.67 -45.06 48.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -57.06 -37.77 72.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.184 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.5 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.441 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.738 0.224 . . . . 0.0 112.295 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 23' ' ' LYS . 49.1 m-85 -109.07 105.13 14.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -123.23 115.83 2.77 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.0 t -67.47 136.97 55.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -96.89 -39.78 9.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.453 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 7.1 mp0 -40.67 -56.5 2.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.6 p -104.74 -43.69 5.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.86 57.46 0.43 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -119.37 176.18 5.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.753 0.311 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -144.63 130.66 19.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.07 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.511 ' CE1' HD12 ' A' ' 26' ' ' LEU . 6.7 m-85 -126.17 110.75 13.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -41.15 -39.62 1.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.2 m -108.67 156.97 18.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -70.96 -48.07 55.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.8 t -48.46 -44.11 35.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -55.27 -41.97 72.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.952 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.511 HD12 ' CE1' ' A' ' 20' ' ' PHE . 51.7 tp -57.68 -56.69 18.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.412 ' C ' ' N ' ' A' ' 29' ' ' HIS . 36.4 mt -46.11 -57.78 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.3 mt -43.85 -22.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.096 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.412 ' N ' ' C ' ' A' ' 27' ' ' ILE . 11.8 t60 -97.9 -50.98 4.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 96.4 mmm -46.35 -26.62 0.86 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.412 ' HG3' ' N ' ' A' ' 32' ' ' THR . 10.2 ptm180 -52.34 -37.25 55.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.412 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 64.2 p -73.68 -24.89 60.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.453 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 9.6 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.486 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.761 0.234 . . . . 0.0 112.323 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.486 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 9.8 m-85 -109.12 99.22 8.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.41 119.24 3.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.4 t -68.61 145.41 53.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.2 p -106.89 -36.59 6.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.482 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 56.6 mm-40 -42.16 -49.51 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.7 p -111.03 -42.72 3.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.79 60.42 0.51 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.527 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -132.28 140.85 48.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.63 152.16 18.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.554 ' CD2' ' HA ' ' A' ' 26' ' ' LEU . 12.1 m-85 -132.5 132.16 42.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 ptp85 -87.87 13.45 10.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.7 t -160.59 139.89 10.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.413 ' HE2' ' CE1' ' A' ' 11' ' ' TYR . 15.6 tppt? -53.0 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 23' ' ' LYS . 15.4 m -37.5 -49.64 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -44.2 -43.72 7.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.961 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.554 ' HA ' ' CD2' ' A' ' 20' ' ' PHE . 29.0 tp -64.78 -59.84 3.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.8 mp -44.62 -52.04 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.137 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.4 mt -48.31 -30.11 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -91.09 -39.54 12.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.465 ' CE ' ' HA ' ' A' ' 30' ' ' MET . 0.0 OUTLIER -44.31 -46.34 9.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -43.79 -41.89 5.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 47.3 p -45.65 -52.85 10.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.482 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 95.4 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.825 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.486 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.784 0.244 . . . . 0.0 112.326 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.486 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 15.3 m-85 -134.26 122.94 23.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.72 115.83 1.08 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.5 t -71.77 106.24 4.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.821 0.343 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.6 m -73.69 -35.27 65.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -43.84 -62.05 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.3 p -97.63 -42.56 7.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.98 61.67 0.43 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -131.46 175.02 9.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.784 0.326 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -142.63 152.42 42.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.178 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.404 ' CE1' HD12 ' A' ' 26' ' ' LEU . 7.5 m-85 -142.16 113.87 7.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.2 ttt-85 -40.79 -41.08 1.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -113.09 166.17 11.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' SER . 42.5 tttp -72.73 -60.0 2.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 23' ' ' LYS . 36.0 p -34.8 -53.94 0.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -43.51 -48.21 7.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.404 HD12 ' CE1' ' A' ' 20' ' ' PHE . 57.3 tp -52.16 -48.95 64.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 30' ' ' MET . 25.5 mt -49.28 -63.83 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.4 mp -45.26 -21.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.181 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 40.7 t60 -96.39 -31.67 12.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' ILE . 3.3 mmt -76.12 -23.52 54.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.42 ' HB2' ' NH1' ' A' ' 31' ' ' ARG . 4.2 ptm85 -43.58 -33.22 1.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -88.01 -37.33 16.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.188 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.913 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.473 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.144 0 CA-C-O 120.844 0.268 . . . . 0.0 112.388 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.519 ' CE1' ' HB3' ' A' ' 23' ' ' LYS . 8.5 m-85 -115.65 94.05 4.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -119.87 114.38 2.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.519 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.7 t -57.26 138.77 54.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.348 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 m -98.19 -30.3 12.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.435 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 19.1 mm-40 -50.89 -57.99 7.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.0 p -101.88 -45.17 5.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.33 43.32 0.71 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.513 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -108.4 161.97 14.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.788 0.328 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.21 152.92 39.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.081 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -144.96 113.95 6.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -44.4 -40.43 5.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t -110.95 143.59 41.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.519 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 24.2 pttm -57.92 -46.0 85.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.424 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 71.6 p -48.34 -49.97 32.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -48.84 -46.95 42.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 27.2 tp -58.77 -59.31 5.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.7 mt -45.57 -54.58 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 52.5 mt -48.71 -29.65 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 31' ' ' ARG . 12.2 t60 -84.96 -49.24 8.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 31' ' ' ARG . 30.4 mtp -35.3 -34.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 29' ' ' HIS . 67.6 mtm180 -34.92 -54.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.4 p -53.03 -53.59 47.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.435 ' CD2' ' HB2' ' A' ' 15' ' ' GLU . 68.2 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.813 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.797 0.249 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -125.87 25.98 6.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -42.97 118.36 1.85 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.5 t -62.5 114.18 3.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.835 0.35 . . . . 0.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.6 m -92.44 44.75 1.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.816 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -131.35 -42.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 17' ' ' GLY . 22.2 p -126.82 -46.42 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.402 ' N ' ' SG ' ' A' ' 16' ' ' CYS . . . 129.16 68.33 0.12 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.512 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -125.61 179.64 5.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.757 0.313 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -139.45 152.32 46.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.095 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.539 ' CE2' HD12 ' A' ' 26' ' ' LEU . 30.0 m-85 -153.8 137.05 15.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.48 19.89 14.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 m -167.45 144.69 4.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -54.13 -43.63 70.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.8 m -55.4 -63.82 1.04 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.836 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -41.5 -42.0 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.945 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.539 HD12 ' CE2' ' A' ' 20' ' ' PHE . 54.0 tp -60.59 -55.56 31.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.3 mt -52.1 -37.57 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.01 -22.26 23.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -101.68 -40.93 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 17.9 mtp -68.34 -23.46 64.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -49.31 -32.31 10.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.1 t -90.63 -19.41 23.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.943 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.825 0.26 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.423 ' CE1' ' HB2' ' A' ' 23' ' ' LYS . 83.2 m-85 -118.58 22.41 12.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -60.66 115.38 7.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.4 t -53.78 112.6 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.851 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.5 m -93.74 45.41 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -131.4 -42.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.2 p -123.69 -44.0 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 129.53 54.76 0.1 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.444 ' HG3' ' CE1' ' A' ' 29' ' ' HIS . 8.2 mmmt -118.5 163.58 16.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.595 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -126.65 155.85 41.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 19' ' ' ALA . 8.7 m-85 -156.27 144.83 20.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -100.3 19.06 17.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.9 t -158.15 138.61 12.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 26' ' ' LEU . 26.1 ttpt -56.67 -71.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 23' ' ' LYS . 68.2 p -35.65 -40.12 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.26 -47.79 80.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 23' ' ' LYS . 60.1 tp -58.81 -52.77 64.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.1 mt -48.97 -48.11 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.4 mt -59.15 -20.18 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.444 ' CE1' ' HG3' ' A' ' 18' ' ' LYS . 37.8 t60 -97.62 -23.05 16.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.829 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.403 ' C ' ' N ' ' A' ' 32' ' ' THR . 22.3 mtp -85.55 -54.77 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.6 -23.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.403 ' N ' ' C ' ' A' ' 30' ' ' MET . 70.0 p -78.74 -50.65 11.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 32' ' ' THR . 15.7 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.84 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.513 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.193 0 CA-C-O 120.829 0.262 . . . . 0.0 112.34 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.513 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 21.7 m-85 -133.71 87.06 2.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -116.41 118.78 4.3 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.51 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.1 t -61.04 111.48 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.844 0.354 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 t -92.65 44.6 1.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.464 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 5.4 mm-40 -130.85 -42.06 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.2 p -118.74 -44.1 2.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.17 55.89 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -132.91 169.69 16.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.769 0.319 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.496 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -135.89 174.88 10.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.512 ' CD1' ' HB2' ' A' ' 26' ' ' LEU . 2.4 m-85 -160.54 111.63 1.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -44.57 -40.55 5.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.7 t -112.28 148.61 33.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.23 -38.82 77.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' TYR . 22.8 t -54.66 -64.17 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 24' ' ' SER . 10.5 m-85 -35.89 -54.04 0.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.512 ' HB2' ' CD1' ' A' ' 20' ' ' PHE . 14.3 tp -45.28 -54.96 6.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.956 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 29' ' ' HIS . 45.3 mt -47.43 -63.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 27' ' ' ILE . 5.4 mp -37.26 -29.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.48 ' N ' ' O ' ' A' ' 27' ' ' ILE . 28.6 t60 -90.26 -54.62 3.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' ARG . 8.8 mmt -40.75 -27.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' MET . 58.6 mtm180 -36.54 -58.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.8 p -55.75 -50.24 70.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.464 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 68.4 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.432 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.796 0.248 . . . . 0.0 112.356 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.432 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 9.6 m-85 -89.72 115.39 27.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.04 121.7 2.06 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.4 t -57.97 118.2 5.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.819 0.342 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.7 t -95.02 43.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.428 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 5.0 mm-40 -132.99 -38.46 0.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.6 p -119.81 -47.27 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.37 48.72 0.2 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -119.96 176.65 5.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.798 0.332 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.551 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -137.53 166.54 23.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.551 ' CD1' ' C ' ' A' ' 19' ' ' ALA . 1.2 m-85 -155.95 113.3 3.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.7 tpt85 -47.96 -37.98 15.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t -109.14 147.94 31.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.406 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 31.3 tttp -60.02 -61.81 2.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.1 t -39.9 -44.96 1.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -51.96 -45.33 64.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.907 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.438 HD12 ' CE1' ' A' ' 20' ' ' PHE . 20.8 tp -57.03 -58.68 7.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.1 mp -47.85 -61.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.6 mt -38.5 -36.81 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -77.55 -49.71 14.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 81.9 mmm -42.86 -25.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -46.87 -37.44 8.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.414 HG21 ' N ' ' A' ' 33' ' ' HIS . 7.7 t -67.69 -31.97 72.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.428 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 92.2 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.833 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.412 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.172 0 CA-C-O 120.803 0.251 . . . . 0.0 112.386 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.412 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 39.0 m-85 -123.96 151.95 43.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.3 131.77 2.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.3 t -79.05 130.35 35.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.0 t -106.42 41.21 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -130.98 -45.66 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.4 p -115.82 -48.82 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.56 69.95 0.21 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.526 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -146.34 168.25 21.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.743 0.306 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.59 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -133.78 171.0 14.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.59 ' CD1' ' C ' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -149.9 129.71 13.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -63.8 -28.99 70.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.7 m -112.18 174.18 6.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.818 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.5 tttp -85.82 -66.19 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.6 t -41.03 -41.71 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.4 -55.77 16.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.56 HD12 ' CE1' ' A' ' 20' ' ' PHE . 25.0 tp -46.28 -56.24 6.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.3 mt -48.1 -59.25 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 72.9 mt -40.03 -39.64 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.157 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -73.29 -51.41 17.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.433 ' O ' ' C ' ' A' ' 31' ' ' ARG . 82.1 mmm -44.28 -35.28 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 30' ' ' MET . 62.4 mtp180 -35.58 -61.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.4 p -40.65 -57.52 1.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 179.914 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.457 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.754 0.231 . . . . 0.0 112.333 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.457 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 55.0 m-85 -117.92 157.56 26.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.68 131.36 1.71 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.6 t -81.0 118.27 22.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.3 t -80.2 -37.0 34.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -40.55 -60.16 1.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.6 p -102.91 -44.01 5.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.69 63.52 0.31 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.66 165.98 16.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.64 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -125.43 159.75 31.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.64 ' CD1' ' C ' ' A' ' 19' ' ' ALA . 12.8 m-85 -155.9 123.92 5.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.869 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.9 ttp-105 -84.27 34.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.2 t -172.4 130.55 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -48.85 -64.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.936 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 25' ' ' TYR . 50.6 m -45.57 -59.35 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' A' ' 24' ' ' SER . 2.3 t80 -37.26 -44.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.93 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.3 tp -62.61 -53.89 47.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.9 mt -45.03 -36.72 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.13 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 74.5 mt -62.48 -35.01 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.134 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -90.89 -24.75 20.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 71.0 mmm -83.73 -22.45 31.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.28 -31.56 38.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.464 HG23 ' N ' ' A' ' 33' ' ' HIS . 13.3 t -72.41 -29.75 64.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.124 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.464 ' N ' HG23 ' A' ' 32' ' ' THR . 4.6 m-70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.492 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.806 0.253 . . . . 0.0 112.336 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.492 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 28.0 m-85 -120.72 120.93 37.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -146.61 117.75 0.97 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.3 t -70.51 116.76 11.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.826 0.346 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 15' ' ' GLU . 66.9 p -76.25 -38.55 56.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 14' ' ' SER . 76.0 mm-40 -37.0 -61.77 0.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.6 p -101.69 -41.17 6.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 111.56 59.65 0.46 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -125.09 174.59 7.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.09 164.22 30.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.138 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.49 ' CE1' HD11 ' A' ' 26' ' ' LEU . 5.2 m-85 -154.46 116.32 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.41 ' HD3' ' C ' ' A' ' 21' ' ' ARG . 0.6 OUTLIER -46.55 -35.56 5.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 m -110.66 177.13 4.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -85.15 -57.0 3.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.6 p -39.48 -48.49 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -51.55 -42.28 61.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.49 HD11 ' CE1' ' A' ' 20' ' ' PHE . 60.5 tp -59.91 -55.77 29.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 30' ' ' MET . 55.9 mt -50.56 -63.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.4 mt -41.45 -31.41 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.145 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -86.42 -32.37 20.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.476 ' N ' ' O ' ' A' ' 27' ' ' ILE . 25.0 mtp -84.94 16.61 3.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -88.38 -37.9 15.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.8 t -77.8 -27.81 50.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.943 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.794 0.247 . . . . 0.0 112.329 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.497 ' CE1' ' HB2' ' A' ' 23' ' ' LYS . 10.1 m-85 -95.37 95.61 8.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.42 105.97 0.63 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.512 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.9 t -50.57 142.36 10.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 m -99.68 -36.67 9.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.2 mp0 -44.27 -57.44 3.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.1 p -102.63 -45.41 5.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.65 54.29 0.47 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -115.67 179.71 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.473 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -134.37 165.26 25.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.529 ' CE1' ' CD1' ' A' ' 26' ' ' LEU . 8.3 m-85 -157.04 106.97 2.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' PHE . 38.4 ptt180 -38.26 -38.68 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.7 p -117.86 155.78 29.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.497 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -64.55 -55.44 20.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.477 ' O ' ' CD1' ' A' ' 28' ' ' ILE . 47.6 m -36.97 -55.54 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -47.02 -39.88 13.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.529 ' CD1' ' CE1' ' A' ' 20' ' ' PHE . 52.3 tp -61.31 -48.5 81.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.466 ' CD1' ' HG2' ' A' ' 23' ' ' LYS . 3.9 mp -52.92 -62.24 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.477 ' CD1' ' O ' ' A' ' 24' ' ' SER . 5.1 mp -51.78 -16.46 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.408 ' CG ' ' CZ ' ' A' ' 20' ' ' PHE . 10.7 t60 -97.53 -22.31 16.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 41.4 mtp -91.04 -29.08 17.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.459 ' NE ' ' HA ' ' A' ' 28' ' ' ILE . 14.6 ptp180 -58.16 -26.04 62.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.1 t -86.18 -33.02 20.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.941 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.544 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.803 0.251 . . . . 0.0 112.332 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.544 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 2.5 m-85 -123.64 131.94 53.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -152.35 117.98 0.85 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 52.2 t -71.14 123.63 22.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.5 t -87.12 -32.35 19.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.514 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 7.0 mm-40 -42.6 -58.72 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.8 p -101.51 -44.98 5.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.3 56.4 0.33 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -120.91 173.07 7.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -136.9 144.15 43.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -134.56 117.85 16.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -49.03 -39.76 28.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 t -114.02 174.13 6.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.517 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 37.6 tttm -87.37 -48.41 8.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 76.0 p -47.91 -30.26 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -73.83 -43.35 59.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.2 tp -53.71 -52.17 60.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 29' ' ' HIS . 17.4 mt -44.91 -59.47 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 52.0 mt -40.88 -24.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.463 ' N ' ' O ' ' A' ' 27' ' ' ILE . 57.3 t60 -97.64 -51.02 4.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.831 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.458 ' CE ' ' HB2' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -41.38 -31.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -51.86 -44.0 63.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 t -62.87 -30.0 71.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.514 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 60.7 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' SER . 86.4 p -145.57 166.84 24.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' SER . 65.7 m -37.64 123.95 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.11 88.96 0.29 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.5 p -99.65 148.3 24.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.915 0.388 . . . . 0.0 110.862 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 m -90.59 -48.01 7.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.52 98.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.4 m -132.12 161.24 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.873 0.368 . . . . 0.0 111.155 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.2 mttp -147.72 152.63 41.59 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.542 0.687 . . . . 0.0 110.929 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.497 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 54.0 Cg_endo -69.76 -8.97 24.95 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.643 2.228 . . . . 0.0 112.35 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.497 ' CE2' ' HG2' ' A' ' 10' ' ' PRO . 13.3 m-85 -131.48 132.75 44.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.78 90.44 0.12 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.438 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.1 t -42.85 144.57 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.7 t -98.64 -42.95 7.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.522 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 0.3 OUTLIER -38.83 -60.19 0.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -97.51 -44.13 6.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.22 43.73 1.34 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -111.17 177.65 4.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.48 159.18 42.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 1.6 m-85 -146.41 112.2 5.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.923 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -41.25 -41.69 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -109.51 159.26 17.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -68.44 -55.11 12.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -39.71 -53.12 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -45.68 -49.51 14.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.1 tp -55.08 -59.65 4.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.0 mt -45.87 -62.7 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.5 mt -41.6 -38.74 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.077 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -72.81 -50.88 21.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 55.4 mmm -41.1 -34.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -40.93 -48.13 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.4 p -57.0 -48.78 77.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.522 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 37.6 m-70 -61.06 -55.72 29.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.2 p -52.19 -57.08 10.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.86 163.04 52.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.17 163.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.923 0.392 . . . . 0.0 110.879 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.43 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 30.1 mttm 58.77 54.53 5.31 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.624 0.726 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.43 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 53.2 Cg_endo -69.79 -45.21 1.65 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.322 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.3 t -95.66 111.56 23.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.06 -94.37 2.05 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -10.18 27.93 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.671 2.247 . . . . 0.0 112.355 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.8 p -75.29 87.18 2.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.7 m -101.04 -62.41 1.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.095 -0.836 . . . . 0.0 112.473 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 p -149.27 118.47 6.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.88 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.7 m -86.83 97.76 10.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.26 -69.87 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.6 m 51.15 44.62 28.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.897 0.379 . . . . 0.0 110.875 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 t -39.75 117.7 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.89 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.03 126.99 8.45 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.1 m -122.79 162.05 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 111.116 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.443 ' HE3' ' CA ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -67.48 143.95 97.48 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.534 0.683 . . . . 0.0 110.919 179.857 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -16.21 37.14 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.642 2.228 . . . . 0.0 112.32 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 23' ' ' LYS . 61.3 m-85 -114.84 157.21 23.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.68 134.99 2.83 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.531 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.5 t -77.12 120.24 21.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 110.877 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.1 p -100.34 39.57 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -125.25 -54.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.2 p -110.31 -44.4 3.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.37 84.2 0.51 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -156.46 167.65 29.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.47 172.39 10.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.113 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.593 ' CE1' ' CD1' ' A' ' 26' ' ' LEU . 5.8 m-85 -150.67 123.63 8.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.413 ' C ' ' HD2' ' A' ' 21' ' ' ARG . 0.8 OUTLIER -60.07 -30.87 69.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.4 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 35.7 t -127.66 178.16 6.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 11' ' ' TYR . 11.5 ptmt -74.95 -40.93 60.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.1 m -59.44 -50.98 71.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -46.81 -30.0 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.593 ' CD1' ' CE1' ' A' ' 20' ' ' PHE . 19.1 tp -78.48 -46.53 19.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.4 mt -58.97 -40.14 79.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 81.7 mt -62.72 -27.25 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -95.4 -21.89 18.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 31' ' ' ARG . 4.5 mmt -80.24 -49.6 11.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 30' ' ' MET . 16.0 ptp180 -36.09 -35.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.6 p -74.58 -49.53 21.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -53.9 -54.76 34.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.9 t -172.94 146.6 1.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 36' ' ' GLU . . . 93.51 150.84 27.32 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.467 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 35' ' ' GLY . 30.5 mt-10 37.97 41.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.86 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -107.59 80.96 1.02 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.574 0.702 . . . . 0.0 110.949 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -27.92 26.04 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.4 m -73.51 145.29 45.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -101.53 -95.06 2.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.445 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 42' ' ' SER . 53.8 Cg_endo -69.75 -50.6 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.68 2.253 . . . . 0.0 112.354 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 41' ' ' PRO . 19.3 m 34.36 47.98 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 44' ' ' GLY . 80.1 p -80.04 47.43 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 43' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p -173.15 106.82 0.15 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.902 0.382 . . . . 0.0 110.825 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -101.88 144.36 30.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.93 60.68 0.57 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.455 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.7 p -127.0 160.58 30.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.872 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -167.63 140.82 3.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.828 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.28 120.46 3.23 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.7 p -157.64 117.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 111.149 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.452 ' N ' ' HE2' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -82.93 151.05 63.18 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.562 0.696 . . . . 0.0 110.947 179.876 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.402 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.72 -11.2 30.41 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.402 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 59.1 m-85 -121.07 80.13 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.83 109.32 3.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.5 t -43.71 112.75 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.819 0.342 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.1 t -92.84 41.32 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -127.88 -49.23 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.0 p -116.2 -44.34 2.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.57 68.63 0.15 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -131.65 171.54 13.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.343 . . . . 0.0 110.842 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -137.77 145.61 42.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.553 ' CE1' ' CD1' ' A' ' 26' ' ' LEU . 14.9 m-85 -143.04 147.38 34.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -96.39 17.54 15.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.834 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.4 t -159.77 121.16 3.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -38.16 -45.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 25' ' ' TYR . 2.2 t -57.71 -62.06 2.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.448 ' C ' ' O ' ' A' ' 24' ' ' SER . 6.0 m-85 -34.57 -43.23 0.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.553 ' CD1' ' CE1' ' A' ' 20' ' ' PHE . 65.6 tp -58.47 -56.45 21.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 30' ' ' MET . 68.8 mt -47.47 -60.52 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.432 ' CD1' ' O ' ' A' ' 24' ' ' SER . 5.4 mp -43.75 -24.23 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.093 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -95.76 -32.52 12.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 27' ' ' ILE . 31.4 mtp -70.89 -32.43 69.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.457 ' HG3' ' N ' ' A' ' 32' ' ' THR . 29.2 ptt180 -41.71 -41.3 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.457 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 43.7 p -62.91 -51.17 67.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -53.41 -45.9 69.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.1 t -135.54 132.98 37.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.24 -49.57 0.48 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 37' ' ' LYS . 10.7 tm-20 -53.61 105.18 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.877 0.37 . . . . 0.0 110.876 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 36' ' ' GLU . 23.7 mtmm -36.48 145.14 0.25 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.606 0.717 . . . . 0.0 110.856 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -4.38 13.9 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.616 2.211 . . . . 0.0 112.388 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.5 t -134.48 114.47 12.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -179.93 -169.5 40.24 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.443 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -7.54 21.33 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.625 2.217 . . . . 0.0 112.335 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.6 t -97.69 110.89 23.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 84.3 p -71.67 104.56 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.491 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -113.26 85.32 2.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.87 0.367 . . . . 0.0 110.883 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -124.65 42.22 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.826 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.96 166.38 25.98 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.506 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.1 t -80.72 118.81 22.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 110.866 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.3 t -128.91 89.97 2.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.24 -139.52 9.25 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.7 t -119.64 108.04 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.381 . . . . 0.0 111.131 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.61 149.89 40.08 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.591 0.71 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.55 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.7 Cg_endo -69.7 -21.61 33.54 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.7 2.267 . . . . 0.0 112.362 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.55 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 19.4 m-85 -111.15 111.5 22.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.81 110.49 0.92 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.515 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.0 t -45.47 133.81 7.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 t -107.64 42.67 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -134.18 -46.87 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.4 p -120.99 -45.86 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.02 85.91 0.75 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.444 ' HD2' ' CE1' ' A' ' 29' ' ' HIS . 71.6 mttt -154.44 160.5 41.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.405 ' C ' ' CG ' ' A' ' 20' ' ' PHE . . . -120.43 167.17 12.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.102 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 26' ' ' LEU . 11.7 m-85 -156.69 113.17 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.85 -29.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.6 m -118.45 153.96 33.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.523 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 33.6 pttt -68.57 -36.81 79.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.456 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 39.6 p -57.64 -56.63 19.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -43.45 -37.23 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.416 ' HB2' ' CD1' ' A' ' 20' ' ' PHE . 12.7 tp -68.44 -47.73 66.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.953 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.6 mt -50.38 -61.98 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.439 ' CD1' ' O ' ' A' ' 24' ' ' SER . 5.1 mp -50.86 -32.98 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.444 ' CE1' ' HD2' ' A' ' 18' ' ' LYS . 65.6 t60 -76.13 -22.4 55.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.488 ' O ' ' N ' ' A' ' 33' ' ' HIS . 88.8 mmm -91.49 -58.66 2.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.452 ' HD2' ' N ' ' A' ' 32' ' ' THR . 0.7 OUTLIER -36.35 -33.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.452 ' N ' ' HD2' ' A' ' 31' ' ' ARG . 8.0 t -74.31 -44.59 51.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.488 ' N ' ' O ' ' A' ' 30' ' ' MET . 6.4 m-70 -44.03 -59.38 2.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.8 p -115.97 -57.73 2.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.183 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 49.58 74.39 0.28 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.48 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -133.92 41.34 3.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.907 0.384 . . . . 0.0 110.875 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -124.04 79.24 58.56 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.568 0.699 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 39' ' ' SER . 54.2 Cg_endo -69.78 -14.26 35.79 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.703 2.269 . . . . 0.0 112.348 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 38' ' ' PRO . 6.6 t -34.54 113.72 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.97 76.21 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -33.47 16.52 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.627 2.218 . . . . 0.0 112.368 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.1 m -83.38 -51.53 7.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.1 p -64.6 -47.53 78.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.451 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 m -124.68 99.69 6.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.866 0.365 . . . . 0.0 110.854 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -142.13 146.82 35.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.64 -101.29 0.49 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.509 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -56.42 142.5 38.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.933 0.396 . . . . 0.0 110.87 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.3 p -84.93 55.5 3.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.12 175.77 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.8 m -131.24 33.81 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 111.123 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -139.02 144.35 40.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.52 0.676 . . . . 0.0 110.913 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.493 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.2 Cg_endo -69.79 -25.28 28.6 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.314 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.5 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 9.6 m-85 -130.07 141.22 50.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.16 132.76 3.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.9 t -83.14 111.72 19.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.351 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 15' ' ' GLU . 7.5 t -76.24 -39.79 53.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' SER . 6.2 mm-40 -37.84 -57.61 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.849 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.7 p -106.4 -41.55 5.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.33 74.43 0.7 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -137.76 179.19 6.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.06 155.89 46.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.074 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -148.09 111.63 5.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -38.52 -41.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.7 p -112.34 169.95 8.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 11' ' ' TYR . 17.4 ttpt -77.43 -53.64 7.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.5 m -41.6 -47.64 3.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -50.59 -45.98 57.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.8 tp -53.03 -56.93 12.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 30' ' ' MET . 49.4 mt -48.4 -57.23 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 87.3 mt -42.73 -25.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -97.02 -33.51 11.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 27' ' ' ILE . 20.8 mtp -67.73 -32.72 73.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.411 ' NH1' ' HB2' ' A' ' 31' ' ' ARG . 2.0 ptm85 -45.68 -32.83 2.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.7 p -79.69 -52.6 7.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -45.21 -56.65 4.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.0 t -109.42 148.67 30.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.48 46.1 34.16 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.531 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -123.16 70.38 1.03 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.935 0.397 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -120.12 74.38 21.03 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.566 0.698 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -6.33 18.37 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.697 2.265 . . . . 0.0 112.328 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.7 p -130.01 172.69 11.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.6 -94.88 2.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 162.02 43.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.703 2.268 . . . . 0.0 112.372 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.6 t -171.9 165.85 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 78.3 p -124.12 -62.45 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.477 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -166.07 142.61 5.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.844 0.354 . . . . 0.0 110.821 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t -136.41 125.68 24.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.77 -73.03 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 m -48.23 122.47 5.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.358 . . . . 0.0 110.882 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 m -44.25 143.74 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.816 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.72 78.36 0.78 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.445 ' O ' ' C ' ' A' ' 9' ' ' LYS . 18.8 m -125.84 120.32 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 0.0 111.175 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -34.3 143.7 0.2 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.544 0.688 . . . . 0.0 110.921 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.508 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 54.2 Cg_endo -69.78 -28.66 24.87 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.508 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 7.9 m-85 -128.77 107.98 10.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 13' ' ' CYS . . . -120.48 84.37 0.37 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.507 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 12' ' ' GLY . 33.8 t -36.3 138.48 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.812 0.339 . . . . 0.0 110.923 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.4 t -101.16 -35.55 9.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.549 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 3.5 mp0 -43.73 -54.25 5.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.9 p -109.28 -44.92 3.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.73 55.33 0.42 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.438 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -121.03 175.81 5.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.19 154.46 51.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.468 ' CE2' HD11 ' A' ' 26' ' ' LEU . 26.2 m-85 -141.13 112.38 7.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.2 ttp180 -41.08 -39.67 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 61.6 p -113.39 179.85 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -87.58 -52.12 5.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.2 t -43.34 -46.02 6.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -53.76 -49.09 68.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.906 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.468 HD11 ' CE2' ' A' ' 20' ' ' PHE . 32.2 tp -50.39 -55.84 14.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.4 mp -52.09 -46.76 43.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 79.0 mt -55.4 -16.11 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -107.18 -34.61 7.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 68.8 mmm -67.4 -26.97 66.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -52.71 -34.27 51.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 73.7 p -79.81 -24.37 41.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.549 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 7.1 m-70 -72.12 -49.76 33.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.0 p -71.3 105.9 3.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.73 72.5 0.22 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.455 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -120.99 83.1 2.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.915 0.388 . . . . 0.0 110.932 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.23 148.43 29.18 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.613 0.72 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 166.11 28.71 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.0 t -118.57 98.03 6.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.24 -165.0 28.28 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -13.27 34.46 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.656 2.238 . . . . 0.0 112.338 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 43' ' ' SER . 4.4 m -55.47 -39.8 70.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 42' ' ' SER . 60.3 p -35.71 122.7 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.877 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.507 -179.947 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -124.24 89.15 3.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.349 . . . . 0.0 110.833 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.3 p -84.81 -43.02 14.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.58 161.91 23.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.0 p -104.86 42.86 1.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 110.84 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -162.06 156.0 21.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.82 169.17 29.32 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.5 m -100.38 22.91 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 111.086 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -134.14 80.34 53.73 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.571 0.7 . . . . 0.0 110.923 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.502 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.8 -24.41 29.53 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.502 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 11.3 m-85 -117.12 100.75 7.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -130.71 122.92 3.71 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.44 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.5 t -65.72 152.45 44.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.2 t -115.64 -36.58 4.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -45.53 -45.5 13.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.0 p -115.21 -43.59 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 111.52 76.48 0.82 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.53 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' HD2' ' CE1' ' A' ' 29' ' ' HIS . 92.3 mttt -137.48 -178.16 5.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.735 0.302 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -137.12 164.87 27.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.614 ' CE2' ' CD1' ' A' ' 26' ' ' LEU . 17.5 m-85 -153.28 125.37 7.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -63.6 -26.86 68.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.7 m -140.04 -178.9 5.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.492 ' HE3' ' CD1' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -70.45 -66.11 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 23' ' ' LYS . 96.8 p -34.51 -53.34 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -47.03 -44.52 20.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.614 ' CD1' ' CE2' ' A' ' 20' ' ' PHE . 25.7 tp -62.21 -55.13 31.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.7 mp -47.88 -53.24 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.9 mt -46.74 -20.5 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.416 ' CE1' ' HD2' ' A' ' 18' ' ' LYS . 32.0 t60 -101.96 -48.32 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.9 mmt -45.82 -34.98 4.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.44 ' CZ ' ' CB ' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -49.67 -45.06 48.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -57.06 -37.77 72.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.184 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.5 m-70 -73.57 -58.17 3.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.9 t -126.67 110.71 13.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -177.8 -61.0 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.498 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -134.09 143.81 48.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.906 0.384 . . . . 0.0 110.914 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -111.74 153.74 44.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.535 0.683 . . . . 0.0 110.947 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 39' ' ' SER . 53.3 Cg_endo -69.78 2.83 3.19 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.658 2.239 . . . . 0.0 112.316 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 38' ' ' PRO . 7.3 t -34.52 134.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.21 -95.26 0.7 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.481 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 131.12 20.66 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.353 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 57.8 p -81.93 85.62 6.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.0 t -121.22 -58.29 1.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.091 -0.838 . . . . 0.0 112.451 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -114.93 94.49 4.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.876 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -68.89 99.33 1.04 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.852 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.79 -49.74 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.462 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t 61.92 40.39 12.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.898 0.38 . . . . 0.0 110.84 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 p -41.26 -56.57 2.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.16 -25.65 2.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.1 t 53.5 54.83 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.926 0.393 . . . . 0.0 111.137 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -76.79 144.39 72.82 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.58 0.705 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.441 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.5 Cg_endo -69.83 -28.89 24.38 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.257 . . . . 0.0 112.295 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 23' ' ' LYS . 49.1 m-85 -109.07 105.13 14.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -123.23 115.83 2.77 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.0 t -67.47 136.97 55.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -96.89 -39.78 9.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.453 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 7.1 mp0 -40.67 -56.5 2.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.6 p -104.74 -43.69 5.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.86 57.46 0.43 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -119.37 176.18 5.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.753 0.311 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -144.63 130.66 19.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.07 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.511 ' CE1' HD12 ' A' ' 26' ' ' LEU . 6.7 m-85 -126.17 110.75 13.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -41.15 -39.62 1.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.2 m -108.67 156.97 18.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -70.96 -48.07 55.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.8 t -48.46 -44.11 35.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -55.27 -41.97 72.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.952 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.511 HD12 ' CE1' ' A' ' 20' ' ' PHE . 51.7 tp -57.68 -56.69 18.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.412 ' C ' ' N ' ' A' ' 29' ' ' HIS . 36.4 mt -46.11 -57.78 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.3 mt -43.85 -22.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.096 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.412 ' N ' ' C ' ' A' ' 27' ' ' ILE . 11.8 t60 -97.9 -50.98 4.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 96.4 mmm -46.35 -26.62 0.86 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.412 ' HG3' ' N ' ' A' ' 32' ' ' THR . 10.2 ptm180 -52.34 -37.25 55.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.412 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 64.2 p -73.68 -24.89 60.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.453 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 9.6 m-70 -73.94 -49.4 24.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.1 t -129.89 139.85 51.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.2 -111.05 0.27 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.49 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -114.51 80.44 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.944 0.402 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.8 80.94 64.58 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.557 0.694 . . . . 0.0 110.899 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 81.48 0.81 Allowed 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.714 2.276 . . . . 0.0 112.384 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.5 m -145.63 142.35 28.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.03 -158.21 22.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 140.6 43.09 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.727 2.285 . . . . 0.0 112.344 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t -109.77 161.9 14.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.849 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.2 t -150.46 112.23 4.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.448 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 1' ' ' GLY . 94.0 p -35.7 116.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.892 0.377 . . . . 0.0 110.849 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.1 p -172.82 139.16 0.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.24 85.76 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.516 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -141.98 142.24 32.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.839 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -82.58 130.8 35.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.29 164.72 13.92 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.8 t -119.1 90.22 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 111.143 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.57 146.51 69.71 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.589 0.709 . . . . 0.0 110.864 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.486 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.5 Cg_endo -69.81 -30.54 21.88 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.323 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.486 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 9.8 m-85 -109.12 99.22 8.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.41 119.24 3.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.4 t -68.61 145.41 53.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.2 p -106.89 -36.59 6.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.482 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 56.6 mm-40 -42.16 -49.51 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.7 p -111.03 -42.72 3.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.79 60.42 0.51 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.527 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -132.28 140.85 48.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.63 152.16 18.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.554 ' CD2' ' HA ' ' A' ' 26' ' ' LEU . 12.1 m-85 -132.5 132.16 42.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 ptp85 -87.87 13.45 10.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.7 t -160.59 139.89 10.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.413 ' HE2' ' CE1' ' A' ' 11' ' ' TYR . 15.6 tppt? -53.0 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 23' ' ' LYS . 15.4 m -37.5 -49.64 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -44.2 -43.72 7.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.961 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.554 ' HA ' ' CD2' ' A' ' 20' ' ' PHE . 29.0 tp -64.78 -59.84 3.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.8 mp -44.62 -52.04 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.137 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.4 mt -48.31 -30.11 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -91.09 -39.54 12.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.465 ' CE ' ' HA ' ' A' ' 30' ' ' MET . 0.0 OUTLIER -44.31 -46.34 9.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -43.79 -41.89 5.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 47.3 p -45.65 -52.85 10.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.482 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 95.4 m-70 -64.11 -42.21 96.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.825 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.22 78.0 1.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.0 175.37 32.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -101.25 87.5 3.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.918 0.389 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -109.29 161.28 24.51 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.586 0.708 . . . . 0.0 110.939 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -5.53 16.38 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.731 2.287 . . . . 0.0 112.386 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.0 m -103.49 -61.52 1.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.826 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 63.39 61.37 6.36 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -27.11 26.78 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.623 2.215 . . . . 0.0 112.354 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.8 t -57.23 130.21 45.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.7 t -127.3 152.4 47.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.46 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 t -99.3 141.32 32.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.365 . . . . 0.0 110.854 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.2 p -78.44 86.19 4.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.81 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.93 58.7 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.9 m -124.7 166.98 15.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.354 . . . . 0.0 110.871 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -80.83 109.86 15.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.84 63.18 0.28 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.8 m -84.42 -19.21 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 0.0 111.112 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.9 147.13 99.15 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.55 0.691 . . . . 0.0 110.92 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.486 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.7 Cg_endo -69.74 -20.83 34.43 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.692 2.261 . . . . 0.0 112.326 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.486 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 15.3 m-85 -134.26 122.94 23.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.72 115.83 1.08 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.5 t -71.77 106.24 4.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.821 0.343 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.6 m -73.69 -35.27 65.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -43.84 -62.05 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.3 p -97.63 -42.56 7.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.98 61.67 0.43 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -131.46 175.02 9.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.784 0.326 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -142.63 152.42 42.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.178 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.404 ' CE1' HD12 ' A' ' 26' ' ' LEU . 7.5 m-85 -142.16 113.87 7.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.2 ttt-85 -40.79 -41.08 1.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -113.09 166.17 11.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' SER . 42.5 tttp -72.73 -60.0 2.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 23' ' ' LYS . 36.0 p -34.8 -53.94 0.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -43.51 -48.21 7.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.404 HD12 ' CE1' ' A' ' 20' ' ' PHE . 57.3 tp -52.16 -48.95 64.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 30' ' ' MET . 25.5 mt -49.28 -63.83 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.4 mp -45.26 -21.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.181 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 40.7 t60 -96.39 -31.67 12.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' ILE . 3.3 mmt -76.12 -23.52 54.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.42 ' HB2' ' NH1' ' A' ' 31' ' ' ARG . 4.2 ptm85 -43.58 -33.22 1.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -88.01 -37.33 16.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.188 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -61.92 -36.83 82.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.5 p -83.47 45.2 1.03 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 59.21 149.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -121.68 79.43 1.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.0 pttt -76.05 143.95 74.76 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.561 0.696 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -179.32 2.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.359 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.3 p -142.95 107.26 4.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.787 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -98.54 -178.22 32.55 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -17.11 37.75 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.247 . . . . 0.0 112.374 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.8 p -51.99 -22.21 3.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.6 t -98.54 155.41 17.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.507 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 p -108.83 86.69 2.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 110.853 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.8 p -108.91 -52.95 2.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.3 165.25 31.27 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.477 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 7' ' ' GLY . 10.3 t -157.99 117.48 3.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.8 p -53.2 85.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 5' ' ' SER . . . -92.08 -152.9 29.28 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.5 m -124.98 47.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.882 0.372 . . . . 0.0 111.11 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.442 ' HD3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -129.3 76.78 78.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.585 0.707 . . . . 0.0 110.92 179.863 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.473 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 54.1 Cg_endo -69.74 -11.86 31.75 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.644 2.229 . . . . 0.0 112.388 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.519 ' CE1' ' HB3' ' A' ' 23' ' ' LYS . 8.5 m-85 -115.65 94.05 4.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -119.87 114.38 2.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.519 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.7 t -57.26 138.77 54.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.348 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 m -98.19 -30.3 12.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.435 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 19.1 mm-40 -50.89 -57.99 7.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.0 p -101.88 -45.17 5.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.33 43.32 0.71 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.513 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -108.4 161.97 14.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.788 0.328 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.21 152.92 39.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.081 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -144.96 113.95 6.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -44.4 -40.43 5.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t -110.95 143.59 41.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.519 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 24.2 pttm -57.92 -46.0 85.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.424 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 71.6 p -48.34 -49.97 32.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -48.84 -46.95 42.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 27.2 tp -58.77 -59.31 5.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.7 mt -45.57 -54.58 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 52.5 mt -48.71 -29.65 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 31' ' ' ARG . 12.2 t60 -84.96 -49.24 8.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 31' ' ' ARG . 30.4 mtp -35.3 -34.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 29' ' ' HIS . 67.6 mtm180 -34.92 -54.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.4 p -53.03 -53.59 47.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.435 ' CD2' ' HB2' ' A' ' 15' ' ' GLU . 68.2 m-70 -63.26 -61.06 2.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.813 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 82.3 p -38.14 156.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.161 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -44.38 115.3 1.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.529 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -123.51 161.61 24.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.944 0.402 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.1 pttm -38.31 144.0 0.4 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.563 0.697 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -50.8 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.358 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.9 p -88.59 108.29 19.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -101.99 -94.86 2.25 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -50.08 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.318 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.5 p -152.36 163.78 38.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 53.9 p -118.21 135.43 54.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.822 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.529 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -83.2 -49.11 9.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.851 0.358 . . . . 0.0 110.868 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -148.68 165.38 31.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.73 -120.82 0.55 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -118.41 -45.59 2.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.938 0.399 . . . . 0.0 110.883 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 m -72.36 145.56 47.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.67 46.39 0.18 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.0 p -95.55 43.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.881 0.372 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -115.25 67.98 2.39 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.539 0.685 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -6.17 17.97 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.638 2.225 . . . . 0.0 112.342 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -125.87 25.98 6.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -42.97 118.36 1.85 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.5 t -62.5 114.18 3.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.835 0.35 . . . . 0.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.6 m -92.44 44.75 1.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.816 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -131.35 -42.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 17' ' ' GLY . 22.2 p -126.82 -46.42 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.402 ' N ' ' SG ' ' A' ' 16' ' ' CYS . . . 129.16 68.33 0.12 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.512 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -125.61 179.64 5.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.757 0.313 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -139.45 152.32 46.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.095 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.539 ' CE2' HD12 ' A' ' 26' ' ' LEU . 30.0 m-85 -153.8 137.05 15.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.48 19.89 14.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 m -167.45 144.69 4.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -54.13 -43.63 70.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.8 m -55.4 -63.82 1.04 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.836 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -41.5 -42.0 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.945 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.539 HD12 ' CE2' ' A' ' 20' ' ' PHE . 54.0 tp -60.59 -55.56 31.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.3 mt -52.1 -37.57 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.01 -22.26 23.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -101.68 -40.93 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 17.9 mtp -68.34 -23.46 64.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -49.31 -32.31 10.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.1 t -90.63 -19.41 23.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -77.95 -40.09 40.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.0 t -134.04 105.31 6.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -166.5 -112.2 0.26 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -127.91 41.12 3.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.911 0.386 . . . . 0.0 110.916 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.459 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 15.8 ttmt -111.84 143.27 28.31 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.561 0.696 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.459 ' HD2' ' CG ' ' A' ' 37' ' ' LYS . 53.7 Cg_endo -69.7 86.3 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.366 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.9 m -85.89 -46.15 10.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.15 173.96 14.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.443 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -1.03 7.79 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.641 2.227 . . . . 0.0 112.335 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.3 m -67.97 105.94 2.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.1 p -159.05 120.62 3.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.496 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 t -75.65 103.58 5.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 110.842 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.0 p -60.62 113.14 2.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.3 59.58 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -125.64 121.81 34.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.827 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -136.2 129.38 31.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.97 -168.93 26.82 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.3 t -98.11 -21.21 5.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.877 0.37 . . . . 0.0 111.133 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.462 ' HE3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -54.4 147.99 26.03 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.529 0.68 . . . . 0.0 110.901 179.902 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -12.09 32.24 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.423 ' CE1' ' HB2' ' A' ' 23' ' ' LYS . 83.2 m-85 -118.58 22.41 12.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -60.66 115.38 7.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.4 t -53.78 112.6 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.851 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.5 m -93.74 45.41 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -131.4 -42.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.2 p -123.69 -44.0 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 129.53 54.76 0.1 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.444 ' HG3' ' CE1' ' A' ' 29' ' ' HIS . 8.2 mmmt -118.5 163.58 16.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.595 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -126.65 155.85 41.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 19' ' ' ALA . 8.7 m-85 -156.27 144.83 20.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -100.3 19.06 17.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.9 t -158.15 138.61 12.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 26' ' ' LEU . 26.1 ttpt -56.67 -71.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 23' ' ' LYS . 68.2 p -35.65 -40.12 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.26 -47.79 80.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 23' ' ' LYS . 60.1 tp -58.81 -52.77 64.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.1 mt -48.97 -48.11 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.4 mt -59.15 -20.18 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.444 ' CE1' ' HG3' ' A' ' 18' ' ' LYS . 37.8 t60 -97.62 -23.05 16.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.829 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.403 ' C ' ' N ' ' A' ' 32' ' ' THR . 22.3 mtp -85.55 -54.77 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.6 -23.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.403 ' N ' ' C ' ' A' ' 30' ' ' MET . 70.0 p -78.74 -50.65 11.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 32' ' ' THR . 15.7 m-70 -37.91 -54.69 1.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.84 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.9 t -125.9 136.25 52.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.64 65.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.463 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -152.51 164.95 36.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.989 0.423 . . . . 0.0 110.833 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 mmtm -48.54 144.82 6.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 115.9 4.31 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.644 2.229 . . . . 0.0 112.37 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.3 m -124.01 161.22 25.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.86 147.36 40.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.455 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 175.51 8.05 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.346 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -129.96 -61.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.5 p -160.09 173.69 15.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.1 -0.833 . . . . 0.0 112.514 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -155.89 160.54 40.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.902 0.382 . . . . 0.0 110.814 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.2 p -43.15 -52.5 5.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.81 -161.82 26.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.461 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -132.77 94.42 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.917 0.389 . . . . 0.0 110.808 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.8 p -98.16 86.83 3.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.828 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.66 49.08 2.44 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.462 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.5 t -116.49 127.66 74.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.898 0.38 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.47 150.43 48.82 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.603 0.716 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.513 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.4 Cg_endo -69.78 -6.25 18.16 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.727 2.285 . . . . 0.0 112.34 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.513 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 21.7 m-85 -133.71 87.06 2.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -116.41 118.78 4.3 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.51 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.1 t -61.04 111.48 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.844 0.354 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 t -92.65 44.6 1.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.464 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 5.4 mm-40 -130.85 -42.06 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.2 p -118.74 -44.1 2.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.17 55.89 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -132.91 169.69 16.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.769 0.319 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.496 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -135.89 174.88 10.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.512 ' CD1' ' HB2' ' A' ' 26' ' ' LEU . 2.4 m-85 -160.54 111.63 1.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -44.57 -40.55 5.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.7 t -112.28 148.61 33.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.23 -38.82 77.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' TYR . 22.8 t -54.66 -64.17 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 24' ' ' SER . 10.5 m-85 -35.89 -54.04 0.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.512 ' HB2' ' CD1' ' A' ' 20' ' ' PHE . 14.3 tp -45.28 -54.96 6.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.956 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 29' ' ' HIS . 45.3 mt -47.43 -63.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 27' ' ' ILE . 5.4 mp -37.26 -29.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.48 ' N ' ' O ' ' A' ' 27' ' ' ILE . 28.6 t60 -90.26 -54.62 3.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' ARG . 8.8 mmt -40.75 -27.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' MET . 58.6 mtm180 -36.54 -58.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.8 p -55.75 -50.24 70.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.464 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 68.4 m-70 -56.08 -63.41 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.8 p -55.07 -36.57 65.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.44 157.52 47.32 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 46.32 42.12 9.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.373 . . . . 0.0 110.892 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -143.34 139.78 16.92 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.62 0.724 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -50.91 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.6 m -80.01 170.97 15.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.834 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.91 177.82 18.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -9.03 25.1 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.7 2.267 . . . . 0.0 112.311 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.6 p -133.06 133.85 43.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.889 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.3 p -86.84 146.42 26.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.489 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m -77.09 168.52 19.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -158.74 145.81 17.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.76 -76.75 0.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 p -86.08 163.42 17.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 0.0 110.846 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 t -49.03 147.82 2.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.82 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.23 136.59 2.88 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.7 m -133.81 141.72 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.923 0.392 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -117.42 68.57 5.48 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.539 0.685 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.432 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.8 Cg_endo -69.78 -29.93 22.99 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.432 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 9.6 m-85 -89.72 115.39 27.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.04 121.7 2.06 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.4 t -57.97 118.2 5.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.819 0.342 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.7 t -95.02 43.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.428 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 5.0 mm-40 -132.99 -38.46 0.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.6 p -119.81 -47.27 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.37 48.72 0.2 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -119.96 176.65 5.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.798 0.332 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.551 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -137.53 166.54 23.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.551 ' CD1' ' C ' ' A' ' 19' ' ' ALA . 1.2 m-85 -155.95 113.3 3.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.7 tpt85 -47.96 -37.98 15.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t -109.14 147.94 31.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.406 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 31.3 tttp -60.02 -61.81 2.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.1 t -39.9 -44.96 1.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -51.96 -45.33 64.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.907 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.438 HD12 ' CE1' ' A' ' 20' ' ' PHE . 20.8 tp -57.03 -58.68 7.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.1 mp -47.85 -61.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.6 mt -38.5 -36.81 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -77.55 -49.71 14.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 81.9 mmm -42.86 -25.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -46.87 -37.44 8.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.414 HG21 ' N ' ' A' ' 33' ' ' HIS . 7.7 t -67.69 -31.97 72.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.428 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 92.2 m-70 -84.52 21.88 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.833 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 76.8 p -136.29 133.5 37.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.72 -118.06 5.37 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.454 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -67.28 148.23 51.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.96 0.409 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.473 ' CD ' ' HD2' ' A' ' 38' ' ' PRO . 12.8 tptm -88.53 138.96 29.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.494 0.664 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.473 ' HD2' ' CD ' ' A' ' 37' ' ' LYS . 53.6 Cg_endo -69.77 164.04 36.02 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.683 2.255 . . . . 0.0 112.318 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.3 m -121.06 109.75 15.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.61 -65.45 0.59 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 113.45 3.38 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.709 2.273 . . . . 0.0 112.293 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.3 t -163.5 141.12 7.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.837 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.6 m -56.51 119.95 6.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.19 -0.783 . . . . 0.0 112.472 -179.911 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -146.81 157.01 43.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.898 0.38 . . . . 0.0 110.821 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.4 m -61.01 128.48 36.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.48 63.46 4.34 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.7 p -121.62 126.93 50.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.38 . . . . 0.0 110.838 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 m -85.0 86.65 7.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.818 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.06 136.94 23.27 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.501 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.4 ' CG1' ' O ' ' A' ' 8' ' ' VAL . 10.2 p -102.42 52.14 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.91 0.386 . . . . 0.0 111.108 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.467 ' N ' ' HD2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -129.06 143.59 49.36 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.557 0.694 . . . . 0.0 110.926 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.412 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 54.0 Cg_endo -69.76 -22.6 31.83 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.386 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.412 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 39.0 m-85 -123.96 151.95 43.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.3 131.77 2.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.3 t -79.05 130.35 35.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.0 t -106.42 41.21 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -130.98 -45.66 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.4 p -115.82 -48.82 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.56 69.95 0.21 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.526 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -146.34 168.25 21.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.743 0.306 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.59 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -133.78 171.0 14.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.59 ' CD1' ' C ' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -149.9 129.71 13.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -63.8 -28.99 70.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.7 m -112.18 174.18 6.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.818 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.5 tttp -85.82 -66.19 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.6 t -41.03 -41.71 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.4 -55.77 16.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.56 HD12 ' CE1' ' A' ' 20' ' ' PHE . 25.0 tp -46.28 -56.24 6.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.3 mt -48.1 -59.25 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 72.9 mt -40.03 -39.64 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.157 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -73.29 -51.41 17.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.433 ' O ' ' C ' ' A' ' 31' ' ' ARG . 82.1 mmm -44.28 -35.28 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 30' ' ' MET . 62.4 mtp180 -35.58 -61.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.4 p -40.65 -57.52 1.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -54.17 -58.49 7.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.474 ' O ' ' CG2' ' A' ' 34' ' ' THR . 12.8 t -79.83 101.03 8.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.166 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.15 49.1 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.541 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -70.39 159.08 34.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.985 0.421 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.473 ' CD ' ' HD2' ' A' ' 38' ' ' PRO . 34.4 tptt -66.48 136.54 94.99 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.594 0.711 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.473 ' HD2' ' CD ' ' A' ' 37' ' ' LYS . 54.3 Cg_endo -69.74 -43.88 2.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.724 2.283 . . . . 0.0 112.312 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.8 p -137.9 119.42 14.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.4 73.19 0.26 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 123.77 10.43 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.676 2.25 . . . . 0.0 112.354 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.6 m -149.9 127.06 11.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.7 p -130.72 155.46 46.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.816 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.121 -0.821 . . . . 0.0 112.5 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 m -73.65 112.7 9.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.916 0.389 . . . . 0.0 110.856 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -100.39 42.71 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.93 -134.67 16.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.475 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -110.3 83.39 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 110.853 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.5 t -84.53 154.05 22.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.46 63.18 0.37 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.7 m -98.43 -22.41 4.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.898 0.38 . . . . 0.0 111.161 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -111.36 81.03 2.81 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.624 0.726 . . . . 0.0 110.907 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.457 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.2 Cg_endo -69.79 -16.87 37.64 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.659 2.239 . . . . 0.0 112.333 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.457 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 55.0 m-85 -117.92 157.56 26.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.68 131.36 1.71 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.6 t -81.0 118.27 22.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.3 t -80.2 -37.0 34.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -40.55 -60.16 1.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.6 p -102.91 -44.01 5.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.69 63.52 0.31 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.66 165.98 16.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.64 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -125.43 159.75 31.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.64 ' CD1' ' C ' ' A' ' 19' ' ' ALA . 12.8 m-85 -155.9 123.92 5.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.869 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.9 ttp-105 -84.27 34.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.2 t -172.4 130.55 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -48.85 -64.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.936 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 25' ' ' TYR . 50.6 m -45.57 -59.35 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' A' ' 24' ' ' SER . 2.3 t80 -37.26 -44.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.93 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.3 tp -62.61 -53.89 47.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.9 mt -45.03 -36.72 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.13 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 74.5 mt -62.48 -35.01 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.134 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -90.89 -24.75 20.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 71.0 mmm -83.73 -22.45 31.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.28 -31.56 38.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.464 HG23 ' N ' ' A' ' 33' ' ' HIS . 13.3 t -72.41 -29.75 64.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.124 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.464 ' N ' HG23 ' A' ' 32' ' ' THR . 4.6 m-70 -60.15 -56.93 15.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.6 t -125.73 145.58 50.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.077 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 36' ' ' GLU . . . 174.5 42.63 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.493 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 35' ' ' GLY . 17.1 pt-20 35.48 35.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.92 0.39 . . . . 0.0 110.902 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 35' ' ' GLY . 4.5 ptmt -57.81 143.96 75.39 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.581 0.705 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 112.17 3.0 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.718 2.279 . . . . 0.0 112.327 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.6 p -103.51 132.9 49.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.99 -67.74 0.3 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 42' ' ' SER . 54.0 Cg_endo -69.76 2.68 3.31 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.654 2.236 . . . . 0.0 112.353 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 41' ' ' PRO . 1.1 t -34.55 134.42 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.1 m -84.6 152.94 23.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.457 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.6 p -56.75 -48.37 77.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.909 0.385 . . . . 0.0 110.836 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.1 p -156.3 170.72 21.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.91 150.42 21.58 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.457 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.6 p -128.11 138.25 52.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.86 0.362 . . . . 0.0 110.862 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.8 m -99.36 163.85 12.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -133.9 125.12 3.81 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.529 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 7' ' ' GLY . 94.0 t -34.59 118.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.935 0.398 . . . . 0.0 111.105 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.0 78.83 16.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.555 0.693 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.492 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.8 Cg_endo -69.7 -18.31 37.36 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.265 . . . . 0.0 112.336 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.492 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 28.0 m-85 -120.72 120.93 37.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -146.61 117.75 0.97 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.3 t -70.51 116.76 11.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.826 0.346 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 15' ' ' GLU . 66.9 p -76.25 -38.55 56.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 14' ' ' SER . 76.0 mm-40 -37.0 -61.77 0.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.6 p -101.69 -41.17 6.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 111.56 59.65 0.46 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -125.09 174.59 7.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.09 164.22 30.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.138 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.49 ' CE1' HD11 ' A' ' 26' ' ' LEU . 5.2 m-85 -154.46 116.32 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.41 ' HD3' ' C ' ' A' ' 21' ' ' ARG . 0.6 OUTLIER -46.55 -35.56 5.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 m -110.66 177.13 4.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -85.15 -57.0 3.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.6 p -39.48 -48.49 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -51.55 -42.28 61.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.49 HD11 ' CE1' ' A' ' 20' ' ' PHE . 60.5 tp -59.91 -55.77 29.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 30' ' ' MET . 55.9 mt -50.56 -63.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.4 mt -41.45 -31.41 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.145 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -86.42 -32.37 20.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.476 ' N ' ' O ' ' A' ' 27' ' ' ILE . 25.0 mtp -84.94 16.61 3.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -88.38 -37.9 15.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.8 t -77.8 -27.81 50.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -58.07 -53.19 61.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.4 p -102.6 90.4 3.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.4 124.67 4.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.455 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' A' ' 37' ' ' LYS . 11.6 pt-20 -95.08 104.52 16.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.945 0.402 . . . . 0.0 110.825 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.501 ' O ' ' CD ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 30.58 54.39 0.69 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.564 0.697 . . . . 0.0 110.908 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 53.8 Cg_endo -69.75 96.41 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.718 2.278 . . . . 0.0 112.331 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.3 p -69.7 82.65 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.21 146.27 6.08 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -2.46 10.23 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.626 2.218 . . . . 0.0 112.367 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.9 m -129.26 171.92 11.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.8 t 65.69 43.64 3.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.452 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 3' ' ' SER . 30.3 p -60.62 -43.75 97.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.358 . . . . 0.0 110.845 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 2' ' ' SER . 42.7 p 37.82 41.92 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.82 -120.28 0.52 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -134.33 129.55 35.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.381 . . . . 0.0 110.839 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.6 p -83.53 80.29 9.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.91 109.05 0.56 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 88.7 t -64.71 101.28 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 111.151 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -106.25 87.88 2.84 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.598 0.713 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -29.89 23.16 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.329 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.497 ' CE1' ' HB2' ' A' ' 23' ' ' LYS . 10.1 m-85 -95.37 95.61 8.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.42 105.97 0.63 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.512 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.9 t -50.57 142.36 10.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 m -99.68 -36.67 9.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.2 mp0 -44.27 -57.44 3.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.1 p -102.63 -45.41 5.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.65 54.29 0.47 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -115.67 179.71 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.473 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -134.37 165.26 25.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.529 ' CE1' ' CD1' ' A' ' 26' ' ' LEU . 8.3 m-85 -157.04 106.97 2.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' PHE . 38.4 ptt180 -38.26 -38.68 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.7 p -117.86 155.78 29.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.497 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -64.55 -55.44 20.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.477 ' O ' ' CD1' ' A' ' 28' ' ' ILE . 47.6 m -36.97 -55.54 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -47.02 -39.88 13.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.529 ' CD1' ' CE1' ' A' ' 20' ' ' PHE . 52.3 tp -61.31 -48.5 81.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.466 ' CD1' ' HG2' ' A' ' 23' ' ' LYS . 3.9 mp -52.92 -62.24 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.477 ' CD1' ' O ' ' A' ' 24' ' ' SER . 5.1 mp -51.78 -16.46 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.408 ' CG ' ' CZ ' ' A' ' 20' ' ' PHE . 10.7 t60 -97.53 -22.31 16.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 41.4 mtp -91.04 -29.08 17.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.459 ' NE ' ' HA ' ' A' ' 28' ' ' ILE . 14.6 ptp180 -58.16 -26.04 62.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.1 t -86.18 -33.02 20.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -56.94 -56.69 18.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.7 p -53.06 -41.63 65.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.76 159.21 25.65 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -118.65 82.15 1.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.968 0.414 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -59.6 149.42 71.0 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.604 0.716 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -11.23 30.39 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.299 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.2 m -56.51 93.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.34 173.38 6.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -176.33 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.309 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.5 m -86.12 -60.09 2.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.6 m -107.41 -59.88 1.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.817 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.097 -0.835 . . . . 0.0 112.498 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 3' ' ' SER . 19.7 m -38.05 -62.37 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.38 . . . . 0.0 110.87 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 2' ' ' SER . 8.5 t -35.85 -55.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.43 89.61 1.85 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.456 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -68.31 85.47 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 110.9 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -106.04 97.46 7.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.44 57.06 0.27 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.497 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.446 HG23 ' CD ' ' A' ' 9' ' ' LYS . 27.3 m -114.06 -19.71 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.88 0.371 . . . . 0.0 111.093 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.446 ' CD ' HG23 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -130.2 141.93 43.63 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.561 0.696 . . . . 0.0 110.904 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.544 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.5 Cg_endo -69.77 -36.39 10.87 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.544 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 2.5 m-85 -123.64 131.94 53.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -152.35 117.98 0.85 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 52.2 t -71.14 123.63 22.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.5 t -87.12 -32.35 19.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.514 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 7.0 mm-40 -42.6 -58.72 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.8 p -101.51 -44.98 5.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.3 56.4 0.33 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -120.91 173.07 7.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -136.9 144.15 43.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -134.56 117.85 16.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -49.03 -39.76 28.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 t -114.02 174.13 6.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.517 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 37.6 tttm -87.37 -48.41 8.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 76.0 p -47.91 -30.26 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -73.83 -43.35 59.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.2 tp -53.71 -52.17 60.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 29' ' ' HIS . 17.4 mt -44.91 -59.47 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 52.0 mt -40.88 -24.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.463 ' N ' ' O ' ' A' ' 27' ' ' ILE . 57.3 t60 -97.64 -51.02 4.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.831 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.458 ' CE ' ' HB2' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -41.38 -31.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -51.86 -44.0 63.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 t -62.87 -30.0 71.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.514 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 60.7 m-70 -88.86 80.06 7.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.6 p 48.24 51.93 14.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -113.65 -76.52 0.74 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -125.51 39.26 4.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.935 0.398 . . . . 0.0 110.926 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.471 ' CD ' ' HD2' ' A' ' 38' ' ' PRO . 0.8 OUTLIER -172.06 137.26 0.93 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.563 0.696 . . . . 0.0 110.938 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.471 ' HD2' ' CD ' ' A' ' 37' ' ' LYS . 53.9 Cg_endo -69.69 130.1 18.83 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.727 2.285 . . . . 0.0 112.352 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.9 m -51.89 178.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -146.11 -104.93 0.43 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.52 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 177.99 5.02 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.713 2.275 . . . . 0.0 112.333 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.6 p -106.88 177.85 4.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 44' ' ' GLY . 3.3 t -97.64 -45.23 6.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 43' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.517 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.77 0.237 . . . . 0.0 112.35 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.517 ' CE2' ' HG2' ' A' ' 10' ' ' PRO . 13.3 m-85 -131.48 132.75 44.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.78 90.44 0.12 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.438 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.1 t -42.85 144.57 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.7 t -98.64 -42.95 7.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.543 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 0.3 OUTLIER -38.83 -60.19 0.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -97.51 -44.13 6.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.22 43.73 1.34 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -111.17 177.65 4.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.48 159.18 42.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 1.6 m-85 -146.41 112.2 5.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.923 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -41.25 -41.69 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -109.51 159.26 17.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -68.44 -55.11 12.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -39.71 -53.12 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -45.68 -49.51 14.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.1 tp -55.08 -59.65 4.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.0 mt -45.87 -62.7 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.5 mt -41.6 -38.74 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.077 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -72.81 -50.88 21.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 55.4 mmm -41.1 -34.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -40.93 -48.13 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.4 p -57.0 -48.78 77.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.543 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 37.6 m-70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.782 0.242 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 23' ' ' LYS . 61.3 m-85 -114.84 157.21 23.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.68 134.99 2.83 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.531 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.5 t -77.12 120.24 21.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 110.877 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.1 p -100.34 39.57 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -125.25 -54.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.2 p -110.31 -44.4 3.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.37 84.2 0.51 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -156.46 167.65 29.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.47 172.39 10.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.113 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.717 ' CE1' HD13 ' A' ' 26' ' ' LEU . 5.8 m-85 -150.67 123.63 8.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.409 ' HD2' ' C ' ' A' ' 21' ' ' ARG . 0.8 OUTLIER -60.07 -30.87 69.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.7 t -127.66 178.16 6.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 11' ' ' TYR . 11.5 ptmt -74.95 -40.93 60.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.1 m -59.44 -50.98 71.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -46.81 -30.0 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.717 HD13 ' CE1' ' A' ' 20' ' ' PHE . 19.1 tp -78.48 -46.53 19.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.4 mt -58.97 -40.14 79.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 81.7 mt -62.72 -27.25 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -95.4 -21.89 18.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 31' ' ' ARG . 4.5 mmt -80.24 -49.6 11.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 30' ' ' MET . 16.0 ptp180 -36.09 -35.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.6 p -74.58 -49.53 21.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.917 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.404 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.771 0.238 . . . . 0.0 112.343 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.404 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 59.1 m-85 -121.07 80.13 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.83 109.32 3.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.5 t -43.71 112.75 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.819 0.342 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.1 t -92.84 41.32 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -127.88 -49.23 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.0 p -116.2 -44.34 2.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.57 68.63 0.15 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -131.65 171.54 13.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.343 . . . . 0.0 110.842 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -137.77 145.61 42.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.553 ' CE1' ' CD1' ' A' ' 26' ' ' LEU . 14.9 m-85 -143.04 147.38 34.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -96.39 17.54 15.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.834 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.4 t -159.77 121.16 3.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -38.16 -45.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.754 ' O ' HD12 ' A' ' 28' ' ' ILE . 2.2 t -57.71 -62.06 2.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.46 ' HA ' HD13 ' A' ' 28' ' ' ILE . 6.0 m-85 -34.57 -43.23 0.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.553 ' CD1' ' CE1' ' A' ' 20' ' ' PHE . 65.6 tp -58.47 -56.45 21.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 30' ' ' MET . 68.8 mt -47.47 -60.52 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.769 HD12 ' H ' ' A' ' 28' ' ' ILE . 5.4 mp -43.75 -24.23 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.093 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -95.76 -32.52 12.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 27' ' ' ILE . 31.4 mtp -70.89 -32.43 69.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 32' ' ' THR . 29.2 ptt180 -41.71 -41.3 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.469 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 43.7 p -62.91 -51.17 67.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.956 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.558 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.15 0 CA-C-O 120.803 0.251 . . . . 0.0 112.362 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.558 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 19.4 m-85 -111.15 111.5 22.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.81 110.49 0.92 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.515 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.0 t -45.47 133.81 7.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 t -107.64 42.67 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -134.18 -46.87 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.4 p -120.99 -45.86 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.02 85.91 0.75 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.455 ' HD2' ' CE1' ' A' ' 29' ' ' HIS . 71.6 mttt -154.44 160.5 41.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.405 ' C ' ' CG ' ' A' ' 20' ' ' PHE . . . -120.43 167.17 12.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.102 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.413 ' CD1' ' HB2' ' A' ' 26' ' ' LEU . 11.7 m-85 -156.69 113.17 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.85 -29.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.6 m -118.45 153.96 33.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.538 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 33.6 pttt -68.57 -36.81 79.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.757 ' O ' HD12 ' A' ' 28' ' ' ILE . 39.6 p -57.64 -56.63 19.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -43.45 -37.23 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.413 ' HB2' ' CD1' ' A' ' 20' ' ' PHE . 12.7 tp -68.44 -47.73 66.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.953 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' A' ' 24' ' ' SER . 49.6 mt -50.38 -61.98 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.796 HD12 ' H ' ' A' ' 28' ' ' ILE . 5.1 mp -50.86 -32.98 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.455 ' CE1' ' HD2' ' A' ' 18' ' ' LYS . 65.6 t60 -76.13 -22.4 55.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.488 ' O ' ' N ' ' A' ' 33' ' ' HIS . 88.8 mmm -91.49 -58.66 2.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' ' 32' ' ' THR . 0.7 OUTLIER -36.35 -33.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.464 ' N ' ' HD2' ' A' ' 31' ' ' ARG . 8.0 t -74.31 -44.59 51.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.488 ' N ' ' O ' ' A' ' 30' ' ' MET . 6.4 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.498 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.78 0.242 . . . . 0.0 112.314 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.505 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 9.6 m-85 -130.07 141.22 50.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.16 132.76 3.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.9 t -83.14 111.72 19.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.351 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 15' ' ' GLU . 7.5 t -76.24 -39.79 53.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' SER . 6.2 mm-40 -37.84 -57.61 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.849 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.7 p -106.4 -41.55 5.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.33 74.43 0.7 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -137.76 179.19 6.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.06 155.89 46.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.074 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -148.09 111.63 5.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -38.52 -41.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.451 ' HG ' ' HD2' ' A' ' 25' ' ' TYR . 43.7 p -112.34 169.95 8.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.505 ' HB2' ' CZ ' ' A' ' 11' ' ' TYR . 17.4 ttpt -77.43 -53.64 7.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.5 m -41.6 -47.64 3.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.451 ' HD2' ' HG ' ' A' ' 22' ' ' SER . 4.1 m-85 -50.59 -45.98 57.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.8 tp -53.03 -56.93 12.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 30' ' ' MET . 49.4 mt -48.4 -57.23 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 87.3 mt -42.73 -25.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -97.02 -33.51 11.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 27' ' ' ILE . 20.8 mtp -67.73 -32.72 73.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.42 ' NH1' ' HB2' ' A' ' 31' ' ' ARG . 2.0 ptm85 -45.68 -32.83 2.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.7 p -79.69 -52.6 7.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 179.941 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.513 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 54.2 Cg_endo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.769 0.237 . . . . 0.0 112.363 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.513 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 7.9 m-85 -128.77 107.98 10.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 13' ' ' CYS . . . -120.48 84.37 0.37 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.507 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 12' ' ' GLY . 33.8 t -36.3 138.48 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.812 0.339 . . . . 0.0 110.923 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.4 t -101.16 -35.55 9.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 3.5 mp0 -43.73 -54.25 5.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.9 p -109.28 -44.92 3.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.73 55.33 0.42 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.438 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -121.03 175.81 5.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.19 154.46 51.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -141.13 112.38 7.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.2 ttp180 -41.08 -39.67 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 61.6 p -113.39 179.85 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.725 ' O ' HD12 ' A' ' 27' ' ' ILE . 23.4 ttmt -87.58 -52.12 5.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.474 ' HA ' HD13 ' A' ' 27' ' ' ILE . 16.2 t -43.34 -46.02 6.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.401 ' HA ' HD12 ' A' ' 28' ' ' ILE . 7.8 m-85 -53.76 -49.09 68.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.906 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.47 HD22 ' HB3' ' A' ' 11' ' ' TYR . 32.2 tp -50.39 -55.84 14.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.732 ' H ' HD12 ' A' ' 27' ' ' ILE . 5.4 mp -52.09 -46.76 43.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.411 ' O ' HG22 ' A' ' 28' ' ' ILE . 79.0 mt -55.4 -16.11 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -107.18 -34.61 7.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 68.8 mmm -67.4 -26.97 66.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 32' ' ' THR . 10.1 ptm180 -52.71 -34.27 51.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.413 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 73.7 p -79.81 -24.37 41.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 7.1 m-70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.512 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.794 0.248 . . . . 0.0 112.344 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.512 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 11.3 m-85 -117.12 100.75 7.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -130.71 122.92 3.71 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.44 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.5 t -65.72 152.45 44.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.2 t -115.64 -36.58 4.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -45.53 -45.5 13.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.0 p -115.21 -43.59 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 111.52 76.48 0.82 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.53 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.426 ' HD2' ' CE1' ' A' ' 29' ' ' HIS . 92.3 mttt -137.48 -178.16 5.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.735 0.302 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -137.12 164.87 27.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.807 ' CE2' HD13 ' A' ' 26' ' ' LEU . 17.5 m-85 -153.28 125.37 7.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -63.6 -26.86 68.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.7 m -140.04 -178.9 5.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.512 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -70.45 -66.11 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.489 ' HA ' HD13 ' A' ' 27' ' ' ILE . 96.8 p -34.51 -53.34 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -47.03 -44.52 20.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.807 HD13 ' CE2' ' A' ' 20' ' ' PHE . 25.7 tp -62.21 -55.13 31.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.632 ' H ' HD12 ' A' ' 27' ' ' ILE . 4.7 mp -47.88 -53.24 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.9 mt -46.74 -20.5 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.5 ' O ' HG22 ' A' ' 32' ' ' THR . 32.0 t60 -101.96 -48.32 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.9 mmt -45.82 -34.98 4.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.44 ' CZ ' ' CB ' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -49.67 -45.06 48.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 29' ' ' HIS . 1.4 t -57.06 -37.77 72.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.184 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.5 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.446 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.738 0.224 . . . . 0.0 112.295 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 23' ' ' LYS . 49.1 m-85 -109.07 105.13 14.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -123.23 115.83 2.77 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.0 t -67.47 136.97 55.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -96.89 -39.78 9.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.473 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 7.1 mp0 -40.67 -56.5 2.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.6 p -104.74 -43.69 5.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.86 57.46 0.43 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -119.37 176.18 5.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.753 0.311 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -144.63 130.66 19.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.07 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -126.17 110.75 13.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -41.15 -39.62 1.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.2 m -108.67 156.97 18.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -70.96 -48.07 55.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.8 t -48.46 -44.11 35.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -55.27 -41.97 72.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.952 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.7 tp -57.68 -56.69 18.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.412 ' C ' ' N ' ' A' ' 29' ' ' HIS . 36.4 mt -46.11 -57.78 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.3 mt -43.85 -22.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.096 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.412 ' N ' ' C ' ' A' ' 27' ' ' ILE . 11.8 t60 -97.9 -50.98 4.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 96.4 mmm -46.35 -26.62 0.86 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.427 ' HG3' ' N ' ' A' ' 32' ' ' THR . 10.2 ptm180 -52.34 -37.25 55.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.427 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 64.2 p -73.68 -24.89 60.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.473 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 9.6 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.493 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.761 0.234 . . . . 0.0 112.323 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.493 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 9.8 m-85 -109.12 99.22 8.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.41 119.24 3.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.4 t -68.61 145.41 53.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.2 p -106.89 -36.59 6.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.504 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 56.6 mm-40 -42.16 -49.51 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.7 p -111.03 -42.72 3.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.79 60.42 0.51 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.527 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -132.28 140.85 48.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.63 152.16 18.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.554 ' CD2' ' HA ' ' A' ' 26' ' ' LEU . 12.1 m-85 -132.5 132.16 42.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 ptp85 -87.87 13.45 10.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.7 t -160.59 139.89 10.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 24' ' ' SER . 15.6 tppt? -53.0 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 23' ' ' LYS . 15.4 m -37.5 -49.64 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.603 ' HA ' HD12 ' A' ' 28' ' ' ILE . 7.6 t80 -44.2 -43.72 7.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.961 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.554 ' HA ' ' CD2' ' A' ' 20' ' ' PHE . 29.0 tp -64.78 -59.84 3.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.675 ' H ' HD12 ' A' ' 27' ' ' ILE . 4.8 mp -44.62 -52.04 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.137 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' A' ' 25' ' ' TYR . 17.4 mt -48.31 -30.11 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.45 ' O ' HG23 ' A' ' 32' ' ' THR . 11.2 t60 -91.09 -39.54 12.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.472 ' CE ' ' HA ' ' A' ' 30' ' ' MET . 0.0 OUTLIER -44.31 -46.34 9.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -43.79 -41.89 5.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 29' ' ' HIS . 47.3 p -45.65 -52.85 10.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.504 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 95.4 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.825 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.491 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.784 0.244 . . . . 0.0 112.326 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.491 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 15.3 m-85 -134.26 122.94 23.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.72 115.83 1.08 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.5 t -71.77 106.24 4.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.821 0.343 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.6 m -73.69 -35.27 65.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -43.84 -62.05 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.3 p -97.63 -42.56 7.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.98 61.67 0.43 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -131.46 175.02 9.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.784 0.326 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -142.63 152.42 42.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.178 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -142.16 113.87 7.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.2 ttt-85 -40.79 -41.08 1.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -113.09 166.17 11.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' SER . 42.5 tttp -72.73 -60.0 2.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.785 ' HA ' HD12 ' A' ' 27' ' ' ILE . 36.0 p -34.8 -53.94 0.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -43.51 -48.21 7.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.3 tp -52.16 -48.95 64.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.785 HD12 ' HA ' ' A' ' 24' ' ' SER . 25.5 mt -49.28 -63.83 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.801 HD12 ' H ' ' A' ' 28' ' ' ILE . 5.4 mp -45.26 -21.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.181 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 40.7 t60 -96.39 -31.67 12.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' ILE . 3.3 mmt -76.12 -23.52 54.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.435 ' NH1' ' HB2' ' A' ' 31' ' ' ARG . 4.2 ptm85 -43.58 -33.22 1.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -88.01 -37.33 16.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.188 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.913 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.494 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.144 0 CA-C-O 120.844 0.268 . . . . 0.0 112.388 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.531 ' CE1' ' HB3' ' A' ' 23' ' ' LYS . 8.5 m-85 -115.65 94.05 4.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -119.87 114.38 2.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.519 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.7 t -57.26 138.77 54.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.348 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 m -98.19 -30.3 12.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.448 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 19.1 mm-40 -50.89 -57.99 7.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.0 p -101.88 -45.17 5.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.33 43.32 0.71 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.513 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -108.4 161.97 14.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.788 0.328 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.21 152.92 39.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.081 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.406 ' CE1' HD13 ' A' ' 26' ' ' LEU . 3.6 m-85 -144.96 113.95 6.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -44.4 -40.43 5.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t -110.95 143.59 41.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.531 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 24.2 pttm -57.92 -46.0 85.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.433 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 71.6 p -48.34 -49.97 32.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -48.84 -46.95 42.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.406 HD13 ' CE1' ' A' ' 20' ' ' PHE . 27.2 tp -58.77 -59.31 5.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 24' ' ' SER . 20.7 mt -45.57 -54.58 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 52.5 mt -48.71 -29.65 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 31' ' ' ARG . 12.2 t60 -84.96 -49.24 8.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 31' ' ' ARG . 30.4 mtp -35.3 -34.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 29' ' ' HIS . 67.6 mtm180 -34.92 -54.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.4 p -53.03 -53.59 47.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.448 ' CD2' ' HB2' ' A' ' 15' ' ' GLU . 68.2 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.813 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.797 0.249 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.767 ' HB3' HD22 ' A' ' 26' ' ' LEU . 93.9 m-85 -125.87 25.98 6.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -42.97 118.36 1.85 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.5 t -62.5 114.18 3.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.835 0.35 . . . . 0.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.6 m -92.44 44.75 1.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.816 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -131.35 -42.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 17' ' ' GLY . 22.2 p -126.82 -46.42 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.402 ' N ' ' SG ' ' A' ' 16' ' ' CYS . . . 129.16 68.33 0.12 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.512 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -125.61 179.64 5.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.757 0.313 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -139.45 152.32 46.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.095 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -153.8 137.05 15.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.48 19.89 14.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 m -167.45 144.69 4.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -54.13 -43.63 70.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.8 m -55.4 -63.82 1.04 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.836 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.768 ' HA ' HD12 ' A' ' 28' ' ' ILE . 2.9 m-85 -41.5 -42.0 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.945 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.767 HD22 ' HB3' ' A' ' 11' ' ' TYR . 54.0 tp -60.59 -55.56 31.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.3 mt -52.1 -37.57 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.768 HD12 ' HA ' ' A' ' 25' ' ' TYR . 62.0 mt -60.01 -22.26 23.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.652 ' O ' HG22 ' A' ' 32' ' ' THR . 68.0 t60 -101.68 -40.93 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 17.9 mtp -68.34 -23.46 64.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -49.31 -32.31 10.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 29' ' ' HIS . 14.1 t -90.63 -19.41 23.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.943 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.825 0.26 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.419 ' CE1' ' HB2' ' A' ' 23' ' ' LYS . 83.2 m-85 -118.58 22.41 12.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -60.66 115.38 7.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.4 t -53.78 112.6 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.851 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.5 m -93.74 45.41 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -131.4 -42.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.2 p -123.69 -44.0 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 129.53 54.76 0.1 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.444 ' HG3' ' CE1' ' A' ' 29' ' ' HIS . 8.2 mmmt -118.5 163.58 16.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.595 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -126.65 155.85 41.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 19' ' ' ALA . 8.7 m-85 -156.27 144.83 20.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -100.3 19.06 17.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.9 t -158.15 138.61 12.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 26' ' ' LEU . 26.1 ttpt -56.67 -71.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 23' ' ' LYS . 68.2 p -35.65 -40.12 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.454 ' HA ' HD12 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -57.26 -47.79 80.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 23' ' ' LYS . 60.1 tp -58.81 -52.77 64.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 24' ' ' SER . 54.1 mt -48.97 -48.11 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 25' ' ' TYR . 18.4 mt -59.15 -20.18 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.444 ' CE1' ' HG3' ' A' ' 18' ' ' LYS . 37.8 t60 -97.62 -23.05 16.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.829 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.403 ' C ' ' N ' ' A' ' 32' ' ' THR . 22.3 mtp -85.55 -54.77 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.6 -23.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.403 ' N ' ' C ' ' A' ' 30' ' ' MET . 70.0 p -78.74 -50.65 11.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 32' ' ' THR . 15.7 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.84 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.517 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.193 0 CA-C-O 120.829 0.262 . . . . 0.0 112.34 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.517 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 21.7 m-85 -133.71 87.06 2.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -116.41 118.78 4.3 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.51 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.1 t -61.04 111.48 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.844 0.354 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 t -92.65 44.6 1.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.484 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 5.4 mm-40 -130.85 -42.06 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.2 p -118.74 -44.1 2.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.17 55.89 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -132.91 169.69 16.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.769 0.319 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.496 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -135.89 174.88 10.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.508 ' CE1' ' CD1' ' A' ' 26' ' ' LEU . 2.4 m-85 -160.54 111.63 1.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -44.57 -40.55 5.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.7 t -112.28 148.61 33.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.23 -38.82 77.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.675 ' O ' HD12 ' A' ' 28' ' ' ILE . 22.8 t -54.66 -64.17 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.727 ' HA ' HD13 ' A' ' 28' ' ' ILE . 10.5 m-85 -35.89 -54.04 0.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.508 ' CD1' ' CE1' ' A' ' 20' ' ' PHE . 14.3 tp -45.28 -54.96 6.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.956 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.519 HD12 ' HA ' ' A' ' 24' ' ' SER . 45.3 mt -47.43 -63.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.813 HD12 ' H ' ' A' ' 28' ' ' ILE . 5.4 mp -37.26 -29.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.48 ' N ' ' O ' ' A' ' 27' ' ' ILE . 28.6 t60 -90.26 -54.62 3.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' ARG . 8.8 mmt -40.75 -27.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' MET . 58.6 mtm180 -36.54 -58.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.8 p -55.75 -50.24 70.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.484 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 68.4 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.441 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.796 0.248 . . . . 0.0 112.356 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.441 ' CE2' ' HG2' ' A' ' 10' ' ' PRO . 9.6 m-85 -89.72 115.39 27.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.04 121.7 2.06 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.4 t -57.97 118.2 5.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.819 0.342 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.7 t -95.02 43.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.45 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 5.0 mm-40 -132.99 -38.46 0.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.6 p -119.81 -47.27 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.37 48.72 0.2 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -119.96 176.65 5.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.798 0.332 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.551 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -137.53 166.54 23.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.551 ' CD1' ' C ' ' A' ' 19' ' ' ALA . 1.2 m-85 -155.95 113.3 3.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.7 tpt85 -47.96 -37.98 15.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t -109.14 147.94 31.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.45 ' HG2' HD11 ' A' ' 27' ' ' ILE . 31.3 tttp -60.02 -61.81 2.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.455 ' HA ' HD13 ' A' ' 27' ' ' ILE . 41.1 t -39.9 -44.96 1.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.51 ' HA ' HD12 ' A' ' 28' ' ' ILE . 7.3 m-85 -51.96 -45.33 64.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.907 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.8 tp -57.03 -58.68 7.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.804 ' H ' HD12 ' A' ' 27' ' ' ILE . 5.1 mp -47.85 -61.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 25' ' ' TYR . 18.6 mt -38.5 -36.81 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -77.55 -49.71 14.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 81.9 mmm -42.86 -25.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -46.87 -37.44 8.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.7 t -67.69 -31.97 72.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.45 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 92.2 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.833 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.418 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.172 0 CA-C-O 120.803 0.251 . . . . 0.0 112.386 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.418 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 39.0 m-85 -123.96 151.95 43.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.3 131.77 2.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.3 t -79.05 130.35 35.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.0 t -106.42 41.21 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -130.98 -45.66 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.4 p -115.82 -48.82 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.56 69.95 0.21 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.526 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -146.34 168.25 21.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.743 0.306 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.59 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -133.78 171.0 14.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.59 ' CD1' ' C ' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -149.9 129.71 13.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -63.8 -28.99 70.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.7 m -112.18 174.18 6.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.818 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.5 tttp -85.82 -66.19 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.6 t -41.03 -41.71 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.424 ' HA ' HD12 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -51.4 -55.77 16.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 -179.898 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.408 ' HA ' ' CD2' ' A' ' 20' ' ' PHE . 25.0 tp -46.28 -56.24 6.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.3 mt -48.1 -59.25 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.424 HD12 ' HA ' ' A' ' 25' ' ' TYR . 72.9 mt -40.03 -39.64 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.157 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -73.29 -51.41 17.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.433 ' O ' ' C ' ' A' ' 31' ' ' ARG . 82.1 mmm -44.28 -35.28 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 30' ' ' MET . 62.4 mtp180 -35.58 -61.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.4 p -40.65 -57.52 1.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 179.914 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.464 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.754 0.231 . . . . 0.0 112.333 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.464 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 55.0 m-85 -117.92 157.56 26.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.68 131.36 1.71 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.6 t -81.0 118.27 22.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.3 t -80.2 -37.0 34.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -40.55 -60.16 1.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.6 p -102.91 -44.01 5.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.69 63.52 0.31 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.66 165.98 16.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.64 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -125.43 159.75 31.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.64 ' CD1' ' C ' ' A' ' 19' ' ' ALA . 12.8 m-85 -155.9 123.92 5.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.869 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.9 ttp-105 -84.27 34.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.2 t -172.4 130.55 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -48.85 -64.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.936 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.877 ' HA ' HD12 ' A' ' 27' ' ' ILE . 50.6 m -45.57 -59.35 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.468 ' HA ' HD12 ' A' ' 28' ' ' ILE . 2.3 t80 -37.26 -44.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.93 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.3 tp -62.61 -53.89 47.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.877 HD12 ' HA ' ' A' ' 24' ' ' SER . 21.9 mt -45.03 -36.72 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.13 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 25' ' ' TYR . 74.5 mt -62.48 -35.01 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.134 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.514 ' O ' HG22 ' A' ' 32' ' ' THR . 72.1 t60 -90.89 -24.75 20.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 71.0 mmm -83.73 -22.45 31.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.28 -31.56 38.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 29' ' ' HIS . 13.3 t -72.41 -29.75 64.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.124 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 179.942 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.498 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.806 0.253 . . . . 0.0 112.336 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.498 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 28.0 m-85 -120.72 120.93 37.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -146.61 117.75 0.97 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.3 t -70.51 116.76 11.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.826 0.346 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 15' ' ' GLU . 66.9 p -76.25 -38.55 56.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 14' ' ' SER . 76.0 mm-40 -37.0 -61.77 0.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.6 p -101.69 -41.17 6.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 111.56 59.65 0.46 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -125.09 174.59 7.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.09 164.22 30.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.138 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -154.46 116.32 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.408 ' HD3' ' C ' ' A' ' 21' ' ' ARG . 0.6 OUTLIER -46.55 -35.56 5.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 m -110.66 177.13 4.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -85.15 -57.0 3.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.6 p -39.48 -48.49 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -51.55 -42.28 61.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.448 HD22 ' HB3' ' A' ' 11' ' ' TYR . 60.5 tp -59.91 -55.77 29.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 30' ' ' MET . 55.9 mt -50.56 -63.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.4 mt -41.45 -31.41 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.145 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -86.42 -32.37 20.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.476 ' N ' ' O ' ' A' ' 27' ' ' ILE . 25.0 mtp -84.94 16.61 3.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -88.38 -37.9 15.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.8 t -77.8 -27.81 50.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.943 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.794 0.247 . . . . 0.0 112.329 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.503 ' CE1' ' HB2' ' A' ' 23' ' ' LYS . 10.1 m-85 -95.37 95.61 8.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.42 105.97 0.63 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.512 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.9 t -50.57 142.36 10.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 m -99.68 -36.67 9.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.2 mp0 -44.27 -57.44 3.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.1 p -102.63 -45.41 5.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.65 54.29 0.47 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -115.67 179.71 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.473 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -134.37 165.26 25.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.552 ' CD1' HD13 ' A' ' 26' ' ' LEU . 8.3 m-85 -157.04 106.97 2.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' PHE . 38.4 ptt180 -38.26 -38.68 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.7 p -117.86 155.78 29.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.503 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -64.55 -55.44 20.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.809 ' O ' HD12 ' A' ' 28' ' ' ILE . 47.6 m -36.97 -55.54 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -47.02 -39.88 13.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.552 HD13 ' CD1' ' A' ' 20' ' ' PHE . 52.3 tp -61.31 -48.5 81.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.577 HD13 ' HA ' ' A' ' 24' ' ' SER . 3.9 mp -52.92 -62.24 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.809 HD12 ' O ' ' A' ' 24' ' ' SER . 5.1 mp -51.78 -16.46 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.408 ' CG ' ' CZ ' ' A' ' 20' ' ' PHE . 10.7 t60 -97.53 -22.31 16.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 41.4 mtp -91.04 -29.08 17.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.471 ' NE ' ' HA ' ' A' ' 28' ' ' ILE . 14.6 ptp180 -58.16 -26.04 62.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.1 t -86.18 -33.02 20.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.941 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.549 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.803 0.251 . . . . 0.0 112.332 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.549 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 2.5 m-85 -123.64 131.94 53.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -152.35 117.98 0.85 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 52.2 t -71.14 123.63 22.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.5 t -87.12 -32.35 19.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.435 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 7.0 mm-40 -42.6 -58.72 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.8 p -101.51 -44.98 5.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.3 56.4 0.33 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -120.91 173.07 7.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -136.9 144.15 43.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.411 ' CE2' HD13 ' A' ' 26' ' ' LEU . 9.7 m-85 -134.56 117.85 16.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -49.03 -39.76 28.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 t -114.02 174.13 6.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.516 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 37.6 tttm -87.37 -48.41 8.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.605 ' HA ' HD12 ' A' ' 27' ' ' ILE . 76.0 p -47.91 -30.26 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -73.83 -43.35 59.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.411 HD13 ' CE2' ' A' ' 20' ' ' PHE . 21.2 tp -53.71 -52.17 60.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' A' ' 24' ' ' SER . 17.4 mt -44.91 -59.47 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 52.0 mt -40.88 -24.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.463 ' N ' ' O ' ' A' ' 27' ' ' ILE . 57.3 t60 -97.64 -51.02 4.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.831 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.533 ' HE3' ' HA ' ' A' ' 30' ' ' MET . 0.0 OUTLIER -41.38 -31.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -51.86 -44.0 63.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 t -62.87 -30.0 71.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.475 ' HB2' ' CE ' ' A' ' 30' ' ' MET . 25.4 m80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' SER . 86.4 p -145.57 166.84 24.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' SER . 65.7 m -37.64 123.95 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.11 88.96 0.29 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.5 p -99.65 148.3 24.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.915 0.388 . . . . 0.0 110.862 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 m -90.59 -48.01 7.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.52 98.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.4 m -132.12 161.24 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.873 0.368 . . . . 0.0 111.155 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.2 mttp -147.72 152.63 41.59 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.542 0.687 . . . . 0.0 110.929 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.517 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 54.0 Cg_endo -69.76 -8.97 24.95 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.643 2.228 . . . . 0.0 112.35 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.517 ' CE2' ' HG2' ' A' ' 10' ' ' PRO . 13.3 m-85 -131.48 132.75 44.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.78 90.44 0.12 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.438 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.1 t -42.85 144.57 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.7 t -98.64 -42.95 7.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.543 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 0.3 OUTLIER -38.83 -60.19 0.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -97.51 -44.13 6.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.22 43.73 1.34 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -111.17 177.65 4.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.48 159.18 42.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 1.6 m-85 -146.41 112.2 5.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.923 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -41.25 -41.69 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -109.51 159.26 17.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -68.44 -55.11 12.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -39.71 -53.12 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -45.68 -49.51 14.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.1 tp -55.08 -59.65 4.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.0 mt -45.87 -62.7 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.5 mt -41.6 -38.74 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.077 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -72.81 -50.88 21.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 55.4 mmm -41.1 -34.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -40.93 -48.13 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.4 p -57.0 -48.78 77.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.543 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 37.6 m-70 -61.06 -55.72 29.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.2 p -52.19 -57.08 10.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.86 163.04 52.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.17 163.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.923 0.392 . . . . 0.0 110.879 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.43 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 30.1 mttm 58.77 54.53 5.31 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.624 0.726 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.43 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 53.2 Cg_endo -69.79 -45.21 1.65 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.322 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.3 t -95.66 111.56 23.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.06 -94.37 2.05 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -10.18 27.93 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.671 2.247 . . . . 0.0 112.355 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.8 p -75.29 87.18 2.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.7 m -101.04 -62.41 1.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.095 -0.836 . . . . 0.0 112.473 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 p -149.27 118.47 6.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.88 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.7 m -86.83 97.76 10.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.26 -69.87 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.6 m 51.15 44.62 28.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.897 0.379 . . . . 0.0 110.875 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 t -39.75 117.7 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.89 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.03 126.99 8.45 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.1 m -122.79 162.05 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 111.116 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.437 ' HE3' ' CA ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -67.48 143.95 97.48 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.534 0.683 . . . . 0.0 110.919 179.857 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -16.21 37.14 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.642 2.228 . . . . 0.0 112.32 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 23' ' ' LYS . 61.3 m-85 -114.84 157.21 23.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.68 134.99 2.83 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.531 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.5 t -77.12 120.24 21.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 110.877 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.1 p -100.34 39.57 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -125.25 -54.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.2 p -110.31 -44.4 3.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.37 84.2 0.51 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -156.46 167.65 29.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.47 172.39 10.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.113 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.717 ' CE1' HD13 ' A' ' 26' ' ' LEU . 5.8 m-85 -150.67 123.63 8.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.409 ' HD2' ' C ' ' A' ' 21' ' ' ARG . 0.8 OUTLIER -60.07 -30.87 69.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.7 t -127.66 178.16 6.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 11' ' ' TYR . 11.5 ptmt -74.95 -40.93 60.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.1 m -59.44 -50.98 71.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -46.81 -30.0 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.717 HD13 ' CE1' ' A' ' 20' ' ' PHE . 19.1 tp -78.48 -46.53 19.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.4 mt -58.97 -40.14 79.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 81.7 mt -62.72 -27.25 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -95.4 -21.89 18.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 31' ' ' ARG . 4.5 mmt -80.24 -49.6 11.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 30' ' ' MET . 16.0 ptp180 -36.09 -35.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.6 p -74.58 -49.53 21.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -53.9 -54.76 34.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.9 t -172.94 146.6 1.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 36' ' ' GLU . . . 93.51 150.84 27.32 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.467 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 35' ' ' GLY . 30.5 mt-10 37.97 41.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.86 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -107.59 80.96 1.02 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.574 0.702 . . . . 0.0 110.949 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -27.92 26.04 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.4 m -73.51 145.29 45.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -101.53 -95.06 2.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.445 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 42' ' ' SER . 53.8 Cg_endo -69.75 -50.6 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.68 2.253 . . . . 0.0 112.354 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 41' ' ' PRO . 19.3 m 34.36 47.98 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 44' ' ' GLY . 80.1 p -80.04 47.43 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 43' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p -173.15 106.82 0.15 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.902 0.382 . . . . 0.0 110.825 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -101.88 144.36 30.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.93 60.68 0.57 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.455 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.7 p -127.0 160.58 30.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.872 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -167.63 140.82 3.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.828 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.28 120.46 3.23 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 8' ' ' VAL . 12.7 p -157.64 117.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 111.149 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.459 ' N ' ' HE2' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -82.93 151.05 63.18 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.562 0.696 . . . . 0.0 110.947 179.876 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.404 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.72 -11.2 30.41 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.404 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 59.1 m-85 -121.07 80.13 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.83 109.32 3.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.5 t -43.71 112.75 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.819 0.342 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.1 t -92.84 41.32 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -127.88 -49.23 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.0 p -116.2 -44.34 2.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.57 68.63 0.15 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -131.65 171.54 13.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.343 . . . . 0.0 110.842 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -137.77 145.61 42.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.553 ' CE1' ' CD1' ' A' ' 26' ' ' LEU . 14.9 m-85 -143.04 147.38 34.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -96.39 17.54 15.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.834 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.4 t -159.77 121.16 3.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -38.16 -45.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.754 ' O ' HD12 ' A' ' 28' ' ' ILE . 2.2 t -57.71 -62.06 2.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.46 ' HA ' HD13 ' A' ' 28' ' ' ILE . 6.0 m-85 -34.57 -43.23 0.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.553 ' CD1' ' CE1' ' A' ' 20' ' ' PHE . 65.6 tp -58.47 -56.45 21.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 30' ' ' MET . 68.8 mt -47.47 -60.52 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.769 HD12 ' H ' ' A' ' 28' ' ' ILE . 5.4 mp -43.75 -24.23 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.093 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -95.76 -32.52 12.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 27' ' ' ILE . 31.4 mtp -70.89 -32.43 69.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 32' ' ' THR . 29.2 ptt180 -41.71 -41.3 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.469 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 43.7 p -62.91 -51.17 67.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -53.41 -45.9 69.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.1 t -135.54 132.98 37.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.24 -49.57 0.48 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 37' ' ' LYS . 10.7 tm-20 -53.61 105.18 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.877 0.37 . . . . 0.0 110.876 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 36' ' ' GLU . 23.7 mtmm -36.48 145.14 0.25 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.606 0.717 . . . . 0.0 110.856 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -4.38 13.9 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.616 2.211 . . . . 0.0 112.388 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.5 t -134.48 114.47 12.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -179.93 -169.5 40.24 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.443 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -7.54 21.33 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.625 2.217 . . . . 0.0 112.335 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.6 t -97.69 110.89 23.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 84.3 p -71.67 104.56 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.491 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -113.26 85.32 2.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.87 0.367 . . . . 0.0 110.883 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -124.65 42.22 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.826 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.96 166.38 25.98 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.506 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.1 t -80.72 118.81 22.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 110.866 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.3 t -128.91 89.97 2.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.24 -139.52 9.25 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.7 t -119.64 108.04 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.381 . . . . 0.0 111.131 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.61 149.89 40.08 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.591 0.71 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.558 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.7 Cg_endo -69.7 -21.61 33.54 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.7 2.267 . . . . 0.0 112.362 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.558 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 19.4 m-85 -111.15 111.5 22.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.81 110.49 0.92 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.515 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.0 t -45.47 133.81 7.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 t -107.64 42.67 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -134.18 -46.87 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.4 p -120.99 -45.86 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.02 85.91 0.75 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.455 ' HD2' ' CE1' ' A' ' 29' ' ' HIS . 71.6 mttt -154.44 160.5 41.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.405 ' C ' ' CG ' ' A' ' 20' ' ' PHE . . . -120.43 167.17 12.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.102 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.413 ' CD1' ' HB2' ' A' ' 26' ' ' LEU . 11.7 m-85 -156.69 113.17 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.85 -29.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.6 m -118.45 153.96 33.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.538 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 33.6 pttt -68.57 -36.81 79.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.757 ' O ' HD12 ' A' ' 28' ' ' ILE . 39.6 p -57.64 -56.63 19.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -43.45 -37.23 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.413 ' HB2' ' CD1' ' A' ' 20' ' ' PHE . 12.7 tp -68.44 -47.73 66.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.953 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' A' ' 24' ' ' SER . 49.6 mt -50.38 -61.98 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.796 HD12 ' H ' ' A' ' 28' ' ' ILE . 5.1 mp -50.86 -32.98 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.455 ' CE1' ' HD2' ' A' ' 18' ' ' LYS . 65.6 t60 -76.13 -22.4 55.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.488 ' O ' ' N ' ' A' ' 33' ' ' HIS . 88.8 mmm -91.49 -58.66 2.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' ' 32' ' ' THR . 0.7 OUTLIER -36.35 -33.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.464 ' N ' ' HD2' ' A' ' 31' ' ' ARG . 8.0 t -74.31 -44.59 51.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.488 ' N ' ' O ' ' A' ' 30' ' ' MET . 6.4 m-70 -44.03 -59.38 2.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.8 p -115.97 -57.73 2.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.183 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 49.58 74.39 0.28 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.48 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -133.92 41.34 3.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.907 0.384 . . . . 0.0 110.875 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -124.04 79.24 58.56 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.568 0.699 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 39' ' ' SER . 54.2 Cg_endo -69.78 -14.26 35.79 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.703 2.269 . . . . 0.0 112.348 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 38' ' ' PRO . 6.6 t -34.54 113.72 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.97 76.21 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -33.47 16.52 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.627 2.218 . . . . 0.0 112.368 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.1 m -83.38 -51.53 7.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.1 p -64.6 -47.53 78.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.451 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 m -124.68 99.69 6.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.866 0.365 . . . . 0.0 110.854 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -142.13 146.82 35.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.64 -101.29 0.49 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.509 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -56.42 142.5 38.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.933 0.396 . . . . 0.0 110.87 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.3 p -84.93 55.5 3.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.12 175.77 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.8 m -131.24 33.81 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 111.123 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.456 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -139.02 144.35 40.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.52 0.676 . . . . 0.0 110.913 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.498 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.2 Cg_endo -69.79 -25.28 28.6 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.314 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.505 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 9.6 m-85 -130.07 141.22 50.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.16 132.76 3.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.9 t -83.14 111.72 19.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.351 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 15' ' ' GLU . 7.5 t -76.24 -39.79 53.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' SER . 6.2 mm-40 -37.84 -57.61 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.849 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.7 p -106.4 -41.55 5.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.33 74.43 0.7 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -137.76 179.19 6.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.06 155.89 46.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.074 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -148.09 111.63 5.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -38.52 -41.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.451 ' HG ' ' HD2' ' A' ' 25' ' ' TYR . 43.7 p -112.34 169.95 8.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.505 ' HB2' ' CZ ' ' A' ' 11' ' ' TYR . 17.4 ttpt -77.43 -53.64 7.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.5 m -41.6 -47.64 3.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.451 ' HD2' ' HG ' ' A' ' 22' ' ' SER . 4.1 m-85 -50.59 -45.98 57.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.8 tp -53.03 -56.93 12.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 30' ' ' MET . 49.4 mt -48.4 -57.23 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 87.3 mt -42.73 -25.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -97.02 -33.51 11.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 27' ' ' ILE . 20.8 mtp -67.73 -32.72 73.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.42 ' NH1' ' HB2' ' A' ' 31' ' ' ARG . 2.0 ptm85 -45.68 -32.83 2.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.7 p -79.69 -52.6 7.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -45.21 -56.65 4.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.0 t -109.42 148.67 30.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.48 46.1 34.16 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.531 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -123.16 70.38 1.03 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.935 0.397 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -120.12 74.38 21.03 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.566 0.698 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -6.33 18.37 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.697 2.265 . . . . 0.0 112.328 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.7 p -130.01 172.69 11.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.6 -94.88 2.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 162.02 43.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.703 2.268 . . . . 0.0 112.372 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.6 t -171.9 165.85 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 78.3 p -124.12 -62.45 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.477 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -166.07 142.61 5.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.844 0.354 . . . . 0.0 110.821 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t -136.41 125.68 24.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.77 -73.03 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 m -48.23 122.47 5.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.358 . . . . 0.0 110.882 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 m -44.25 143.74 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.816 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.72 78.36 0.78 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.445 ' O ' ' C ' ' A' ' 9' ' ' LYS . 18.8 m -125.84 120.32 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 0.0 111.175 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -34.3 143.7 0.2 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.544 0.688 . . . . 0.0 110.921 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.513 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 54.2 Cg_endo -69.78 -28.66 24.87 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.513 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 7.9 m-85 -128.77 107.98 10.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 13' ' ' CYS . . . -120.48 84.37 0.37 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.507 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 12' ' ' GLY . 33.8 t -36.3 138.48 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.812 0.339 . . . . 0.0 110.923 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.4 t -101.16 -35.55 9.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 3.5 mp0 -43.73 -54.25 5.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.9 p -109.28 -44.92 3.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.73 55.33 0.42 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.438 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -121.03 175.81 5.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.19 154.46 51.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -141.13 112.38 7.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.2 ttp180 -41.08 -39.67 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 61.6 p -113.39 179.85 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.725 ' O ' HD12 ' A' ' 27' ' ' ILE . 23.4 ttmt -87.58 -52.12 5.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.474 ' HA ' HD13 ' A' ' 27' ' ' ILE . 16.2 t -43.34 -46.02 6.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.401 ' HA ' HD12 ' A' ' 28' ' ' ILE . 7.8 m-85 -53.76 -49.09 68.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.906 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.47 HD22 ' HB3' ' A' ' 11' ' ' TYR . 32.2 tp -50.39 -55.84 14.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.732 ' H ' HD12 ' A' ' 27' ' ' ILE . 5.4 mp -52.09 -46.76 43.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.411 ' O ' HG22 ' A' ' 28' ' ' ILE . 79.0 mt -55.4 -16.11 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -107.18 -34.61 7.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 68.8 mmm -67.4 -26.97 66.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 32' ' ' THR . 10.1 ptm180 -52.71 -34.27 51.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.413 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 73.7 p -79.81 -24.37 41.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 7.1 m-70 -72.12 -49.76 33.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.0 p -71.3 105.9 3.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.73 72.5 0.22 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.455 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -120.99 83.1 2.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.915 0.388 . . . . 0.0 110.932 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.23 148.43 29.18 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.613 0.72 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 166.11 28.71 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.0 t -118.57 98.03 6.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.24 -165.0 28.28 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -13.27 34.46 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.656 2.238 . . . . 0.0 112.338 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 43' ' ' SER . 4.4 m -55.47 -39.8 70.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 42' ' ' SER . 60.3 p -35.71 122.7 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.877 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.507 -179.947 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -124.24 89.15 3.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.349 . . . . 0.0 110.833 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.3 p -84.81 -43.02 14.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.58 161.91 23.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.0 p -104.86 42.86 1.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 110.84 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -162.06 156.0 21.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.82 169.17 29.32 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.5 m -100.38 22.91 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 111.086 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.427 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -134.14 80.34 53.73 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.571 0.7 . . . . 0.0 110.923 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.512 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.8 -24.41 29.53 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.512 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 11.3 m-85 -117.12 100.75 7.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -130.71 122.92 3.71 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.44 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.5 t -65.72 152.45 44.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.2 t -115.64 -36.58 4.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -45.53 -45.5 13.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.0 p -115.21 -43.59 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 111.52 76.48 0.82 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.53 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.426 ' HD2' ' CE1' ' A' ' 29' ' ' HIS . 92.3 mttt -137.48 -178.16 5.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.735 0.302 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -137.12 164.87 27.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.807 ' CE2' HD13 ' A' ' 26' ' ' LEU . 17.5 m-85 -153.28 125.37 7.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -63.6 -26.86 68.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.7 m -140.04 -178.9 5.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.512 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -70.45 -66.11 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.489 ' HA ' HD13 ' A' ' 27' ' ' ILE . 96.8 p -34.51 -53.34 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -47.03 -44.52 20.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.807 HD13 ' CE2' ' A' ' 20' ' ' PHE . 25.7 tp -62.21 -55.13 31.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.632 ' H ' HD12 ' A' ' 27' ' ' ILE . 4.7 mp -47.88 -53.24 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.9 mt -46.74 -20.5 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.5 ' O ' HG22 ' A' ' 32' ' ' THR . 32.0 t60 -101.96 -48.32 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.9 mmt -45.82 -34.98 4.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.44 ' CZ ' ' CB ' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -49.67 -45.06 48.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 29' ' ' HIS . 1.4 t -57.06 -37.77 72.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.184 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.5 m-70 -73.57 -58.17 3.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.599 HG23 ' O ' ' A' ' 34' ' ' THR . 8.9 t -126.67 110.71 13.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -177.8 -61.0 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.498 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -134.09 143.81 48.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.906 0.384 . . . . 0.0 110.914 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -111.74 153.74 44.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.535 0.683 . . . . 0.0 110.947 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 39' ' ' SER . 53.3 Cg_endo -69.78 2.83 3.19 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.658 2.239 . . . . 0.0 112.316 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 38' ' ' PRO . 7.3 t -34.52 134.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.21 -95.26 0.7 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.481 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 131.12 20.66 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.353 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 57.8 p -81.93 85.62 6.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.0 t -121.22 -58.29 1.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.091 -0.838 . . . . 0.0 112.451 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -114.93 94.49 4.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.876 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -68.89 99.33 1.04 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.852 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.79 -49.74 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.462 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t 61.92 40.39 12.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.898 0.38 . . . . 0.0 110.84 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 p -41.26 -56.57 2.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.16 -25.65 2.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.1 t 53.5 54.83 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.926 0.393 . . . . 0.0 111.137 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.618 ' HB2' ' HB1' ' A' ' 19' ' ' ALA . 4.9 mptp? -76.79 144.39 72.82 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.58 0.705 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.446 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.5 Cg_endo -69.83 -28.89 24.38 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.257 . . . . 0.0 112.295 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 23' ' ' LYS . 49.1 m-85 -109.07 105.13 14.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -123.23 115.83 2.77 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.0 t -67.47 136.97 55.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -96.89 -39.78 9.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.473 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 7.1 mp0 -40.67 -56.5 2.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.6 p -104.74 -43.69 5.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.86 57.46 0.43 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -119.37 176.18 5.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.753 0.311 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.618 ' HB1' ' HB2' ' A' ' 9' ' ' LYS . . . -144.63 130.66 19.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.07 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -126.17 110.75 13.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -41.15 -39.62 1.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.2 m -108.67 156.97 18.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -70.96 -48.07 55.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.8 t -48.46 -44.11 35.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -55.27 -41.97 72.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.952 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.7 tp -57.68 -56.69 18.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.412 ' C ' ' N ' ' A' ' 29' ' ' HIS . 36.4 mt -46.11 -57.78 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.3 mt -43.85 -22.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.096 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.412 ' N ' ' C ' ' A' ' 27' ' ' ILE . 11.8 t60 -97.9 -50.98 4.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 96.4 mmm -46.35 -26.62 0.86 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.427 ' HG3' ' N ' ' A' ' 32' ' ' THR . 10.2 ptm180 -52.34 -37.25 55.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.427 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 64.2 p -73.68 -24.89 60.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.473 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 9.6 m-70 -73.94 -49.4 24.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.1 t -129.89 139.85 51.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.2 -111.05 0.27 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.49 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -114.51 80.44 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.944 0.402 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.8 80.94 64.58 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.557 0.694 . . . . 0.0 110.899 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 81.48 0.81 Allowed 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.714 2.276 . . . . 0.0 112.384 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.5 m -145.63 142.35 28.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.03 -158.21 22.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 140.6 43.09 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.727 2.285 . . . . 0.0 112.344 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t -109.77 161.9 14.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.849 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.2 t -150.46 112.23 4.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.448 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 1' ' ' GLY . 94.0 p -35.7 116.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.892 0.377 . . . . 0.0 110.849 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.1 p -172.82 139.16 0.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.24 85.76 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.516 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -141.98 142.24 32.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.839 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -82.58 130.8 35.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.29 164.72 13.92 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.8 t -119.1 90.22 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 111.143 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.443 ' HB2' ' HB1' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -78.57 146.51 69.71 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.589 0.709 . . . . 0.0 110.864 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.493 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.5 Cg_endo -69.81 -30.54 21.88 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.323 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.493 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 9.8 m-85 -109.12 99.22 8.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.41 119.24 3.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.4 t -68.61 145.41 53.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.2 p -106.89 -36.59 6.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.504 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 56.6 mm-40 -42.16 -49.51 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.7 p -111.03 -42.72 3.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.79 60.42 0.51 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.527 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -132.28 140.85 48.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.443 ' HB1' ' HB2' ' A' ' 9' ' ' LYS . . . -95.63 152.16 18.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.554 ' CD2' ' HA ' ' A' ' 26' ' ' LEU . 12.1 m-85 -132.5 132.16 42.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 ptp85 -87.87 13.45 10.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.7 t -160.59 139.89 10.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 24' ' ' SER . 15.6 tppt? -53.0 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 23' ' ' LYS . 15.4 m -37.5 -49.64 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.603 ' HA ' HD12 ' A' ' 28' ' ' ILE . 7.6 t80 -44.2 -43.72 7.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.961 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.554 ' HA ' ' CD2' ' A' ' 20' ' ' PHE . 29.0 tp -64.78 -59.84 3.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.675 ' H ' HD12 ' A' ' 27' ' ' ILE . 4.8 mp -44.62 -52.04 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.137 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' A' ' 25' ' ' TYR . 17.4 mt -48.31 -30.11 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.45 ' O ' HG23 ' A' ' 32' ' ' THR . 11.2 t60 -91.09 -39.54 12.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.472 ' CE ' ' HA ' ' A' ' 30' ' ' MET . 0.0 OUTLIER -44.31 -46.34 9.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -43.79 -41.89 5.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 29' ' ' HIS . 47.3 p -45.65 -52.85 10.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.504 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 95.4 m-70 -64.11 -42.21 96.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.825 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.22 78.0 1.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.0 175.37 32.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -101.25 87.5 3.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.918 0.389 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -109.29 161.28 24.51 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.586 0.708 . . . . 0.0 110.939 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -5.53 16.38 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.731 2.287 . . . . 0.0 112.386 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.0 m -103.49 -61.52 1.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.826 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 63.39 61.37 6.36 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -27.11 26.78 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.623 2.215 . . . . 0.0 112.354 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.8 t -57.23 130.21 45.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.7 t -127.3 152.4 47.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.46 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 t -99.3 141.32 32.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.365 . . . . 0.0 110.854 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.2 p -78.44 86.19 4.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.81 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.93 58.7 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.9 m -124.7 166.98 15.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.354 . . . . 0.0 110.871 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -80.83 109.86 15.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.84 63.18 0.28 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.8 m -84.42 -19.21 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 0.0 111.112 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.9 147.13 99.15 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.55 0.691 . . . . 0.0 110.92 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.491 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.7 Cg_endo -69.74 -20.83 34.43 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.692 2.261 . . . . 0.0 112.326 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.491 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 15.3 m-85 -134.26 122.94 23.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.72 115.83 1.08 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.5 t -71.77 106.24 4.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.821 0.343 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.6 m -73.69 -35.27 65.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -43.84 -62.05 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.3 p -97.63 -42.56 7.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.98 61.67 0.43 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -131.46 175.02 9.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.784 0.326 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -142.63 152.42 42.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.178 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -142.16 113.87 7.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.2 ttt-85 -40.79 -41.08 1.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -113.09 166.17 11.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' SER . 42.5 tttp -72.73 -60.0 2.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.785 ' HA ' HD12 ' A' ' 27' ' ' ILE . 36.0 p -34.8 -53.94 0.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -43.51 -48.21 7.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.3 tp -52.16 -48.95 64.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.785 HD12 ' HA ' ' A' ' 24' ' ' SER . 25.5 mt -49.28 -63.83 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.801 HD12 ' H ' ' A' ' 28' ' ' ILE . 5.4 mp -45.26 -21.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.181 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 40.7 t60 -96.39 -31.67 12.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' ILE . 3.3 mmt -76.12 -23.52 54.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.435 ' NH1' ' HB2' ' A' ' 31' ' ' ARG . 4.2 ptm85 -43.58 -33.22 1.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -88.01 -37.33 16.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.188 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -61.92 -36.83 82.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.5 p -83.47 45.2 1.03 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 59.21 149.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -121.68 79.43 1.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.0 pttt -76.05 143.95 74.76 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.561 0.696 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -179.32 2.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.359 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.3 p -142.95 107.26 4.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.787 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -98.54 -178.22 32.55 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -17.11 37.75 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.247 . . . . 0.0 112.374 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.8 p -51.99 -22.21 3.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.6 t -98.54 155.41 17.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.507 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 p -108.83 86.69 2.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 110.853 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.8 p -108.91 -52.95 2.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.3 165.25 31.27 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.477 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 7' ' ' GLY . 10.3 t -157.99 117.48 3.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.8 p -53.2 85.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 5' ' ' SER . . . -92.08 -152.9 29.28 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.416 ' O ' HG23 ' A' ' 8' ' ' VAL . 34.5 m -124.98 47.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.882 0.372 . . . . 0.0 111.11 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.447 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -129.3 76.78 78.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.585 0.707 . . . . 0.0 110.92 179.863 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.494 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 54.1 Cg_endo -69.74 -11.86 31.75 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.644 2.229 . . . . 0.0 112.388 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.531 ' CE1' ' HB3' ' A' ' 23' ' ' LYS . 8.5 m-85 -115.65 94.05 4.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -119.87 114.38 2.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.519 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.7 t -57.26 138.77 54.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.348 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 m -98.19 -30.3 12.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.448 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 19.1 mm-40 -50.89 -57.99 7.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.0 p -101.88 -45.17 5.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.33 43.32 0.71 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.513 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -108.4 161.97 14.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.788 0.328 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.21 152.92 39.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.081 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.406 ' CE1' HD13 ' A' ' 26' ' ' LEU . 3.6 m-85 -144.96 113.95 6.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -44.4 -40.43 5.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t -110.95 143.59 41.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.531 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 24.2 pttm -57.92 -46.0 85.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.433 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 71.6 p -48.34 -49.97 32.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -48.84 -46.95 42.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.406 HD13 ' CE1' ' A' ' 20' ' ' PHE . 27.2 tp -58.77 -59.31 5.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 24' ' ' SER . 20.7 mt -45.57 -54.58 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 52.5 mt -48.71 -29.65 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 31' ' ' ARG . 12.2 t60 -84.96 -49.24 8.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 31' ' ' ARG . 30.4 mtp -35.3 -34.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 29' ' ' HIS . 67.6 mtm180 -34.92 -54.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.4 p -53.03 -53.59 47.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.448 ' CD2' ' HB2' ' A' ' 15' ' ' GLU . 68.2 m-70 -63.26 -61.06 2.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.813 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 82.3 p -38.14 156.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.161 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -44.38 115.3 1.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.529 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -123.51 161.61 24.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.944 0.402 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.1 pttm -38.31 144.0 0.4 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.563 0.697 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -50.8 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.358 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.9 p -88.59 108.29 19.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -101.99 -94.86 2.25 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -50.08 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.318 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.5 p -152.36 163.78 38.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 53.9 p -118.21 135.43 54.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.822 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.529 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -83.2 -49.11 9.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.851 0.358 . . . . 0.0 110.868 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -148.68 165.38 31.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.73 -120.82 0.55 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -118.41 -45.59 2.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.938 0.399 . . . . 0.0 110.883 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 m -72.36 145.56 47.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.67 46.39 0.18 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 8' ' ' VAL . 13.0 p -95.55 43.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.881 0.372 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -115.25 67.98 2.39 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.539 0.685 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -6.17 17.97 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.638 2.225 . . . . 0.0 112.342 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.767 ' HB3' HD22 ' A' ' 26' ' ' LEU . 93.9 m-85 -125.87 25.98 6.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -42.97 118.36 1.85 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.5 t -62.5 114.18 3.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.835 0.35 . . . . 0.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.6 m -92.44 44.75 1.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.816 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -131.35 -42.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 17' ' ' GLY . 22.2 p -126.82 -46.42 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.402 ' N ' ' SG ' ' A' ' 16' ' ' CYS . . . 129.16 68.33 0.12 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.512 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -125.61 179.64 5.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.757 0.313 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -139.45 152.32 46.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.095 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -153.8 137.05 15.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.48 19.89 14.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 m -167.45 144.69 4.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -54.13 -43.63 70.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.8 m -55.4 -63.82 1.04 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.836 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.768 ' HA ' HD12 ' A' ' 28' ' ' ILE . 2.9 m-85 -41.5 -42.0 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.945 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.767 HD22 ' HB3' ' A' ' 11' ' ' TYR . 54.0 tp -60.59 -55.56 31.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.3 mt -52.1 -37.57 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.768 HD12 ' HA ' ' A' ' 25' ' ' TYR . 62.0 mt -60.01 -22.26 23.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.652 ' O ' HG22 ' A' ' 32' ' ' THR . 68.0 t60 -101.68 -40.93 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 17.9 mtp -68.34 -23.46 64.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -49.31 -32.31 10.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 29' ' ' HIS . 14.1 t -90.63 -19.41 23.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -77.95 -40.09 40.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.597 HG23 ' O ' ' A' ' 34' ' ' THR . 9.0 t -134.04 105.31 6.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -166.5 -112.2 0.26 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -127.91 41.12 3.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.911 0.386 . . . . 0.0 110.916 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.456 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 15.8 ttmt -111.84 143.27 28.31 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.561 0.696 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' A' ' 37' ' ' LYS . 53.7 Cg_endo -69.7 86.3 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.366 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.9 m -85.89 -46.15 10.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.15 173.96 14.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.443 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -1.03 7.79 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.641 2.227 . . . . 0.0 112.335 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.3 m -67.97 105.94 2.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.1 p -159.05 120.62 3.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.496 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 t -75.65 103.58 5.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 110.842 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.0 p -60.62 113.14 2.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.3 59.58 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -125.64 121.81 34.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.827 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -136.2 129.38 31.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.97 -168.93 26.82 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.3 t -98.11 -21.21 5.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.877 0.37 . . . . 0.0 111.133 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.472 ' N ' ' HE3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -54.4 147.99 26.03 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.529 0.68 . . . . 0.0 110.901 179.902 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -12.09 32.24 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.419 ' CE1' ' HB2' ' A' ' 23' ' ' LYS . 83.2 m-85 -118.58 22.41 12.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -60.66 115.38 7.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.4 t -53.78 112.6 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.851 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.5 m -93.74 45.41 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -131.4 -42.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.2 p -123.69 -44.0 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 129.53 54.76 0.1 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.444 ' HG3' ' CE1' ' A' ' 29' ' ' HIS . 8.2 mmmt -118.5 163.58 16.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.595 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -126.65 155.85 41.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 19' ' ' ALA . 8.7 m-85 -156.27 144.83 20.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -100.3 19.06 17.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.9 t -158.15 138.61 12.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 26' ' ' LEU . 26.1 ttpt -56.67 -71.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 23' ' ' LYS . 68.2 p -35.65 -40.12 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.454 ' HA ' HD12 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -57.26 -47.79 80.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 23' ' ' LYS . 60.1 tp -58.81 -52.77 64.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 24' ' ' SER . 54.1 mt -48.97 -48.11 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 25' ' ' TYR . 18.4 mt -59.15 -20.18 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.444 ' CE1' ' HG3' ' A' ' 18' ' ' LYS . 37.8 t60 -97.62 -23.05 16.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.829 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.403 ' C ' ' N ' ' A' ' 32' ' ' THR . 22.3 mtp -85.55 -54.77 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.6 -23.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.403 ' N ' ' C ' ' A' ' 30' ' ' MET . 70.0 p -78.74 -50.65 11.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 32' ' ' THR . 15.7 m-70 -37.91 -54.69 1.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.84 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.9 t -125.9 136.25 52.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.64 65.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.463 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -152.51 164.95 36.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.989 0.423 . . . . 0.0 110.833 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 mmtm -48.54 144.82 6.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 115.9 4.31 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.644 2.229 . . . . 0.0 112.37 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.3 m -124.01 161.22 25.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.86 147.36 40.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.455 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 175.51 8.05 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.346 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -129.96 -61.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.5 p -160.09 173.69 15.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.1 -0.833 . . . . 0.0 112.514 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -155.89 160.54 40.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.902 0.382 . . . . 0.0 110.814 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.2 p -43.15 -52.5 5.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.81 -161.82 26.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.461 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -132.77 94.42 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.917 0.389 . . . . 0.0 110.808 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.707 ' O ' HG23 ' A' ' 8' ' ' VAL . 64.8 p -98.16 86.83 3.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.828 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.66 49.08 2.44 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.462 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 6' ' ' SER . 87.5 t -116.49 127.66 74.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.898 0.38 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.47 150.43 48.82 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.603 0.716 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.517 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.4 Cg_endo -69.78 -6.25 18.16 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.727 2.285 . . . . 0.0 112.34 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.517 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 21.7 m-85 -133.71 87.06 2.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -116.41 118.78 4.3 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.51 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.1 t -61.04 111.48 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.844 0.354 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 t -92.65 44.6 1.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.484 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 5.4 mm-40 -130.85 -42.06 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.2 p -118.74 -44.1 2.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.17 55.89 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -132.91 169.69 16.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.769 0.319 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.496 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -135.89 174.88 10.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.508 ' CE1' ' CD1' ' A' ' 26' ' ' LEU . 2.4 m-85 -160.54 111.63 1.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -44.57 -40.55 5.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.7 t -112.28 148.61 33.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.23 -38.82 77.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.675 ' O ' HD12 ' A' ' 28' ' ' ILE . 22.8 t -54.66 -64.17 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.727 ' HA ' HD13 ' A' ' 28' ' ' ILE . 10.5 m-85 -35.89 -54.04 0.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.508 ' CD1' ' CE1' ' A' ' 20' ' ' PHE . 14.3 tp -45.28 -54.96 6.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.956 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.519 HD12 ' HA ' ' A' ' 24' ' ' SER . 45.3 mt -47.43 -63.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.813 HD12 ' H ' ' A' ' 28' ' ' ILE . 5.4 mp -37.26 -29.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.48 ' N ' ' O ' ' A' ' 27' ' ' ILE . 28.6 t60 -90.26 -54.62 3.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' ARG . 8.8 mmt -40.75 -27.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' MET . 58.6 mtm180 -36.54 -58.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.8 p -55.75 -50.24 70.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.484 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 68.4 m-70 -56.08 -63.41 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.8 p -55.07 -36.57 65.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.44 157.52 47.32 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 46.32 42.12 9.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.373 . . . . 0.0 110.892 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -143.34 139.78 16.92 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.62 0.724 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -50.91 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.6 m -80.01 170.97 15.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.834 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.91 177.82 18.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -9.03 25.1 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.7 2.267 . . . . 0.0 112.311 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.6 p -133.06 133.85 43.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.889 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.3 p -86.84 146.42 26.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.489 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m -77.09 168.52 19.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -158.74 145.81 17.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.76 -76.75 0.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 p -86.08 163.42 17.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 0.0 110.846 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 t -49.03 147.82 2.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.82 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.23 136.59 2.88 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.7 m -133.81 141.72 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.923 0.392 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -117.42 68.57 5.48 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.539 0.685 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.441 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 53.8 Cg_endo -69.78 -29.93 22.99 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.441 ' CE2' ' HG2' ' A' ' 10' ' ' PRO . 9.6 m-85 -89.72 115.39 27.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.04 121.7 2.06 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.4 t -57.97 118.2 5.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.819 0.342 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.7 t -95.02 43.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.45 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 5.0 mm-40 -132.99 -38.46 0.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.6 p -119.81 -47.27 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.37 48.72 0.2 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -119.96 176.65 5.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.798 0.332 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.551 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -137.53 166.54 23.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.551 ' CD1' ' C ' ' A' ' 19' ' ' ALA . 1.2 m-85 -155.95 113.3 3.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.7 tpt85 -47.96 -37.98 15.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t -109.14 147.94 31.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.45 ' HG2' HD11 ' A' ' 27' ' ' ILE . 31.3 tttp -60.02 -61.81 2.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.455 ' HA ' HD13 ' A' ' 27' ' ' ILE . 41.1 t -39.9 -44.96 1.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.51 ' HA ' HD12 ' A' ' 28' ' ' ILE . 7.3 m-85 -51.96 -45.33 64.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.907 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.8 tp -57.03 -58.68 7.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.804 ' H ' HD12 ' A' ' 27' ' ' ILE . 5.1 mp -47.85 -61.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 25' ' ' TYR . 18.6 mt -38.5 -36.81 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -77.55 -49.71 14.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 81.9 mmm -42.86 -25.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -46.87 -37.44 8.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.7 t -67.69 -31.97 72.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.45 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 92.2 m-70 -84.52 21.88 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.833 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 76.8 p -136.29 133.5 37.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.72 -118.06 5.37 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.454 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -67.28 148.23 51.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.96 0.409 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.478 ' CD ' ' HD2' ' A' ' 38' ' ' PRO . 12.8 tptm -88.53 138.96 29.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.494 0.664 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.478 ' HD2' ' CD ' ' A' ' 37' ' ' LYS . 53.6 Cg_endo -69.77 164.04 36.02 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.683 2.255 . . . . 0.0 112.318 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.3 m -121.06 109.75 15.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.61 -65.45 0.59 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 113.45 3.38 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.709 2.273 . . . . 0.0 112.293 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.3 t -163.5 141.12 7.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.837 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.6 m -56.51 119.95 6.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.19 -0.783 . . . . 0.0 112.472 -179.911 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -146.81 157.01 43.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.898 0.38 . . . . 0.0 110.821 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.4 m -61.01 128.48 36.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.48 63.46 4.34 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.7 p -121.62 126.93 50.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.38 . . . . 0.0 110.838 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 m -85.0 86.65 7.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.818 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.06 136.94 23.27 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.501 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.623 HG13 ' O ' ' A' ' 8' ' ' VAL . 10.2 p -102.42 52.14 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.91 0.386 . . . . 0.0 111.108 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -129.06 143.59 49.36 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.557 0.694 . . . . 0.0 110.926 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.418 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 54.0 Cg_endo -69.76 -22.6 31.83 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.386 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.418 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 39.0 m-85 -123.96 151.95 43.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.3 131.77 2.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.3 t -79.05 130.35 35.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.0 t -106.42 41.21 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -130.98 -45.66 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.4 p -115.82 -48.82 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.56 69.95 0.21 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.526 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -146.34 168.25 21.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.743 0.306 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.59 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -133.78 171.0 14.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.59 ' CD1' ' C ' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -149.9 129.71 13.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -63.8 -28.99 70.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.7 m -112.18 174.18 6.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.818 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.5 tttp -85.82 -66.19 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.6 t -41.03 -41.71 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.424 ' HA ' HD12 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -51.4 -55.77 16.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 -179.898 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.408 ' HA ' ' CD2' ' A' ' 20' ' ' PHE . 25.0 tp -46.28 -56.24 6.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.3 mt -48.1 -59.25 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.424 HD12 ' HA ' ' A' ' 25' ' ' TYR . 72.9 mt -40.03 -39.64 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.157 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -73.29 -51.41 17.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.433 ' O ' ' C ' ' A' ' 31' ' ' ARG . 82.1 mmm -44.28 -35.28 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 30' ' ' MET . 62.4 mtp180 -35.58 -61.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.4 p -40.65 -57.52 1.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -54.17 -58.49 7.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.711 HG23 ' O ' ' A' ' 34' ' ' THR . 12.8 t -79.83 101.03 8.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.166 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.15 49.1 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.541 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -70.39 159.08 34.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.985 0.421 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.488 ' CD ' ' HD2' ' A' ' 38' ' ' PRO . 34.4 tptt -66.48 136.54 94.99 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.594 0.711 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.488 ' HD2' ' CD ' ' A' ' 37' ' ' LYS . 54.3 Cg_endo -69.74 -43.88 2.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.724 2.283 . . . . 0.0 112.312 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.8 p -137.9 119.42 14.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.4 73.19 0.26 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 123.77 10.43 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.676 2.25 . . . . 0.0 112.354 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.6 m -149.9 127.06 11.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.7 p -130.72 155.46 46.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.816 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.121 -0.821 . . . . 0.0 112.5 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 m -73.65 112.7 9.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.916 0.389 . . . . 0.0 110.856 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -100.39 42.71 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.93 -134.67 16.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.475 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -110.3 83.39 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 110.853 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.5 t -84.53 154.05 22.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.46 63.18 0.37 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.654 HG23 ' HG3' ' A' ' 9' ' ' LYS . 27.7 m -98.43 -22.41 4.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.898 0.38 . . . . 0.0 111.161 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.654 ' HG3' HG23 ' A' ' 8' ' ' VAL . 54.6 mttt -111.36 81.03 2.81 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.624 0.726 . . . . 0.0 110.907 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.464 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.2 Cg_endo -69.79 -16.87 37.64 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.659 2.239 . . . . 0.0 112.333 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.464 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 55.0 m-85 -117.92 157.56 26.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.68 131.36 1.71 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.6 t -81.0 118.27 22.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.3 t -80.2 -37.0 34.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -40.55 -60.16 1.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.6 p -102.91 -44.01 5.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.69 63.52 0.31 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.66 165.98 16.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.64 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -125.43 159.75 31.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.64 ' CD1' ' C ' ' A' ' 19' ' ' ALA . 12.8 m-85 -155.9 123.92 5.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.869 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.9 ttp-105 -84.27 34.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.2 t -172.4 130.55 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -48.85 -64.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.936 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.877 ' HA ' HD12 ' A' ' 27' ' ' ILE . 50.6 m -45.57 -59.35 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.468 ' HA ' HD12 ' A' ' 28' ' ' ILE . 2.3 t80 -37.26 -44.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.93 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.3 tp -62.61 -53.89 47.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.877 HD12 ' HA ' ' A' ' 24' ' ' SER . 21.9 mt -45.03 -36.72 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.13 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 25' ' ' TYR . 74.5 mt -62.48 -35.01 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.134 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.514 ' O ' HG22 ' A' ' 32' ' ' THR . 72.1 t60 -90.89 -24.75 20.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 71.0 mmm -83.73 -22.45 31.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.28 -31.56 38.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 29' ' ' HIS . 13.3 t -72.41 -29.75 64.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.124 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -60.15 -56.93 15.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.6 t -125.73 145.58 50.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.077 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 36' ' ' GLU . . . 174.5 42.63 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.493 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 35' ' ' GLY . 17.1 pt-20 35.48 35.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.92 0.39 . . . . 0.0 110.902 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 35' ' ' GLY . 4.5 ptmt -57.81 143.96 75.39 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.581 0.705 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 112.17 3.0 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.718 2.279 . . . . 0.0 112.327 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.6 p -103.51 132.9 49.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.99 -67.74 0.3 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 42' ' ' SER . 54.0 Cg_endo -69.76 2.68 3.31 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.654 2.236 . . . . 0.0 112.353 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 41' ' ' PRO . 1.1 t -34.55 134.42 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.1 m -84.6 152.94 23.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.457 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.6 p -56.75 -48.37 77.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.909 0.385 . . . . 0.0 110.836 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.1 p -156.3 170.72 21.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.91 150.42 21.58 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.457 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.6 p -128.11 138.25 52.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.86 0.362 . . . . 0.0 110.862 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.8 m -99.36 163.85 12.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -133.9 125.12 3.81 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.529 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.795 HG12 ' HD3' ' A' ' 10' ' ' PRO . 94.0 t -34.59 118.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.935 0.398 . . . . 0.0 111.105 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.0 78.83 16.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.555 0.693 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.795 ' HD3' HG12 ' A' ' 8' ' ' VAL . 53.8 Cg_endo -69.7 -18.31 37.36 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.265 . . . . 0.0 112.336 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.498 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 28.0 m-85 -120.72 120.93 37.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -146.61 117.75 0.97 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.3 t -70.51 116.76 11.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.826 0.346 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 15' ' ' GLU . 66.9 p -76.25 -38.55 56.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 14' ' ' SER . 76.0 mm-40 -37.0 -61.77 0.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.6 p -101.69 -41.17 6.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 111.56 59.65 0.46 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -125.09 174.59 7.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.09 164.22 30.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.138 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -154.46 116.32 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.408 ' HD3' ' C ' ' A' ' 21' ' ' ARG . 0.6 OUTLIER -46.55 -35.56 5.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 m -110.66 177.13 4.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -85.15 -57.0 3.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.6 p -39.48 -48.49 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -51.55 -42.28 61.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.448 HD22 ' HB3' ' A' ' 11' ' ' TYR . 60.5 tp -59.91 -55.77 29.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 30' ' ' MET . 55.9 mt -50.56 -63.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.4 mt -41.45 -31.41 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.145 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -86.42 -32.37 20.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.476 ' N ' ' O ' ' A' ' 27' ' ' ILE . 25.0 mtp -84.94 16.61 3.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -88.38 -37.9 15.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.8 t -77.8 -27.81 50.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -58.07 -53.19 61.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.4 p -102.6 90.4 3.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.4 124.67 4.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.455 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' A' ' 37' ' ' LYS . 11.6 pt-20 -95.08 104.52 16.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.945 0.402 . . . . 0.0 110.825 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.501 ' O ' ' CD ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 30.58 54.39 0.69 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.564 0.697 . . . . 0.0 110.908 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 53.8 Cg_endo -69.75 96.41 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.718 2.278 . . . . 0.0 112.331 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.3 p -69.7 82.65 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.21 146.27 6.08 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -2.46 10.23 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.626 2.218 . . . . 0.0 112.367 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.9 m -129.26 171.92 11.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.8 t 65.69 43.64 3.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.452 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 3' ' ' SER . 30.3 p -60.62 -43.75 97.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.358 . . . . 0.0 110.845 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 2' ' ' SER . 42.7 p 37.82 41.92 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.82 -120.28 0.52 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -134.33 129.55 35.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.381 . . . . 0.0 110.839 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.6 p -83.53 80.29 9.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.91 109.05 0.56 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 88.7 t -64.71 101.28 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 111.151 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -106.25 87.88 2.84 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.598 0.713 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -29.89 23.16 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.329 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.503 ' CE1' ' HB2' ' A' ' 23' ' ' LYS . 10.1 m-85 -95.37 95.61 8.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.42 105.97 0.63 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.512 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.9 t -50.57 142.36 10.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 m -99.68 -36.67 9.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.2 mp0 -44.27 -57.44 3.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.1 p -102.63 -45.41 5.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.65 54.29 0.47 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -115.67 179.71 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.473 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -134.37 165.26 25.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.552 ' CD1' HD13 ' A' ' 26' ' ' LEU . 8.3 m-85 -157.04 106.97 2.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' PHE . 38.4 ptt180 -38.26 -38.68 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.7 p -117.86 155.78 29.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.503 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -64.55 -55.44 20.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.809 ' O ' HD12 ' A' ' 28' ' ' ILE . 47.6 m -36.97 -55.54 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -47.02 -39.88 13.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.552 HD13 ' CD1' ' A' ' 20' ' ' PHE . 52.3 tp -61.31 -48.5 81.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.577 HD13 ' HA ' ' A' ' 24' ' ' SER . 3.9 mp -52.92 -62.24 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.809 HD12 ' O ' ' A' ' 24' ' ' SER . 5.1 mp -51.78 -16.46 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.408 ' CG ' ' CZ ' ' A' ' 20' ' ' PHE . 10.7 t60 -97.53 -22.31 16.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 41.4 mtp -91.04 -29.08 17.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.471 ' NE ' ' HA ' ' A' ' 28' ' ' ILE . 14.6 ptp180 -58.16 -26.04 62.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.1 t -86.18 -33.02 20.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -56.94 -56.69 18.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.7 p -53.06 -41.63 65.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.76 159.21 25.65 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -118.65 82.15 1.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.968 0.414 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -59.6 149.42 71.0 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.604 0.716 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -11.23 30.39 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.299 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.2 m -56.51 93.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.34 173.38 6.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -176.33 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.309 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.5 m -86.12 -60.09 2.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.6 m -107.41 -59.88 1.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.817 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.097 -0.835 . . . . 0.0 112.498 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 3' ' ' SER . 19.7 m -38.05 -62.37 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.38 . . . . 0.0 110.87 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 2' ' ' SER . 8.5 t -35.85 -55.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.43 89.61 1.85 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.456 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -68.31 85.47 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 110.9 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -106.04 97.46 7.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.44 57.06 0.27 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.497 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.475 HG23 ' CD ' ' A' ' 9' ' ' LYS . 27.3 m -114.06 -19.71 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.88 0.371 . . . . 0.0 111.093 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.475 ' CD ' HG23 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -130.2 141.93 43.63 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.561 0.696 . . . . 0.0 110.904 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.549 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.5 Cg_endo -69.77 -36.39 10.87 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.549 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 2.5 m-85 -123.64 131.94 53.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -152.35 117.98 0.85 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 52.2 t -71.14 123.63 22.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.5 t -87.12 -32.35 19.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.535 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 7.0 mm-40 -42.6 -58.72 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.8 p -101.51 -44.98 5.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.3 56.4 0.33 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -120.91 173.07 7.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -136.9 144.15 43.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.411 ' CE2' HD13 ' A' ' 26' ' ' LEU . 9.7 m-85 -134.56 117.85 16.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -49.03 -39.76 28.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 t -114.02 174.13 6.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.516 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 37.6 tttm -87.37 -48.41 8.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.605 ' HA ' HD12 ' A' ' 27' ' ' ILE . 76.0 p -47.91 -30.26 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -73.83 -43.35 59.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.411 HD13 ' CE2' ' A' ' 20' ' ' PHE . 21.2 tp -53.71 -52.17 60.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' A' ' 24' ' ' SER . 17.4 mt -44.91 -59.47 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 52.0 mt -40.88 -24.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.463 ' N ' ' O ' ' A' ' 27' ' ' ILE . 57.3 t60 -97.64 -51.02 4.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.831 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.533 ' HE3' ' HA ' ' A' ' 30' ' ' MET . 0.0 OUTLIER -41.38 -31.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -51.86 -44.0 63.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 t -62.87 -30.0 71.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.535 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 60.7 m-70 -88.86 80.06 7.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.6 p 48.24 51.93 14.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -113.65 -76.52 0.74 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -125.51 39.26 4.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.935 0.398 . . . . 0.0 110.926 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.456 ' CD ' ' HD2' ' A' ' 38' ' ' PRO . 0.8 OUTLIER -172.06 137.26 0.93 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.563 0.696 . . . . 0.0 110.938 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.456 ' HD2' ' CD ' ' A' ' 37' ' ' LYS . 53.9 Cg_endo -69.69 130.1 18.83 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.727 2.285 . . . . 0.0 112.352 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.9 m -51.89 178.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -146.11 -104.93 0.43 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.52 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 177.99 5.02 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.713 2.275 . . . . 0.0 112.333 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.6 p -106.88 177.85 4.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 44' ' ' GLY . 3.3 t -97.64 -45.23 6.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 43' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.517 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.77 0.237 . . . . 0.0 112.35 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.517 ' CE2' ' HG2' ' A' ' 10' ' ' PRO . 13.3 m-85 -131.48 132.75 44.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.78 90.44 0.12 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.438 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.1 t -42.85 144.57 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.7 t -98.64 -42.95 7.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.543 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 0.3 OUTLIER -38.83 -60.19 0.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -97.51 -44.13 6.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.22 43.73 1.34 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -111.17 177.65 4.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.48 159.18 42.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 1.6 m-85 -146.41 112.2 5.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.923 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -41.25 -41.69 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -109.51 159.26 17.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -68.44 -55.11 12.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -39.71 -53.12 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -45.68 -49.51 14.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.1 tp -55.08 -59.65 4.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.0 mt -45.87 -62.7 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.5 mt -41.6 -38.74 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.077 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -72.81 -50.88 21.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 55.4 mmm -41.1 -34.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -40.93 -48.13 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.4 p -57.0 -48.78 77.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.543 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 37.6 m-70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.782 0.242 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 23' ' ' LYS . 61.3 m-85 -114.84 157.21 23.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.68 134.99 2.83 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.531 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.5 t -77.12 120.24 21.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 110.877 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.1 p -100.34 39.57 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -125.25 -54.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.2 p -110.31 -44.4 3.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.37 84.2 0.51 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -156.46 167.65 29.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.47 172.39 10.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.113 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.717 ' CE1' HD13 ' A' ' 26' ' ' LEU . 5.8 m-85 -150.67 123.63 8.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.409 ' C ' ' HD2' ' A' ' 21' ' ' ARG . 0.8 OUTLIER -60.07 -30.87 69.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.7 t -127.66 178.16 6.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 11' ' ' TYR . 11.5 ptmt -74.95 -40.93 60.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.1 m -59.44 -50.98 71.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -46.81 -30.0 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.717 HD13 ' CE1' ' A' ' 20' ' ' PHE . 19.1 tp -78.48 -46.53 19.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.4 mt -58.97 -40.14 79.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 81.7 mt -62.72 -27.25 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -95.4 -21.89 18.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 31' ' ' ARG . 4.5 mmt -80.24 -49.6 11.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 30' ' ' MET . 16.0 ptp180 -36.09 -35.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.6 p -74.58 -49.53 21.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.917 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.404 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.771 0.238 . . . . 0.0 112.343 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.404 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 59.1 m-85 -121.07 80.13 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.83 109.32 3.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.5 t -43.71 112.75 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.819 0.342 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.1 t -92.84 41.32 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -127.88 -49.23 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.0 p -116.2 -44.34 2.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.57 68.63 0.15 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -131.65 171.54 13.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.343 . . . . 0.0 110.842 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -137.77 145.61 42.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.553 ' CE1' ' CD1' ' A' ' 26' ' ' LEU . 14.9 m-85 -143.04 147.38 34.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -96.39 17.54 15.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.834 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.4 t -159.77 121.16 3.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -38.16 -45.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.754 ' O ' HD12 ' A' ' 28' ' ' ILE . 2.2 t -57.71 -62.06 2.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.46 ' HA ' HD13 ' A' ' 28' ' ' ILE . 6.0 m-85 -34.57 -43.23 0.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.553 ' CD1' ' CE1' ' A' ' 20' ' ' PHE . 65.6 tp -58.47 -56.45 21.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 30' ' ' MET . 68.8 mt -47.47 -60.52 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.769 HD12 ' H ' ' A' ' 28' ' ' ILE . 5.4 mp -43.75 -24.23 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.093 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -95.76 -32.52 12.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 27' ' ' ILE . 31.4 mtp -70.89 -32.43 69.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 32' ' ' THR . 29.2 ptt180 -41.71 -41.3 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.469 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 43.7 p -62.91 -51.17 67.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.956 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.558 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.15 0 CA-C-O 120.803 0.251 . . . . 0.0 112.362 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.558 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 19.4 m-85 -111.15 111.5 22.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.81 110.49 0.92 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.515 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.0 t -45.47 133.81 7.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 t -107.64 42.67 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -134.18 -46.87 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.4 p -120.99 -45.86 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.02 85.91 0.75 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.455 ' HD2' ' CE1' ' A' ' 29' ' ' HIS . 71.6 mttt -154.44 160.5 41.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.405 ' C ' ' CG ' ' A' ' 20' ' ' PHE . . . -120.43 167.17 12.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.102 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.413 ' CD1' ' HB2' ' A' ' 26' ' ' LEU . 11.7 m-85 -156.69 113.17 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.85 -29.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.6 m -118.45 153.96 33.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.538 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 33.6 pttt -68.57 -36.81 79.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.757 ' O ' HD12 ' A' ' 28' ' ' ILE . 39.6 p -57.64 -56.63 19.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -43.45 -37.23 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.413 ' HB2' ' CD1' ' A' ' 20' ' ' PHE . 12.7 tp -68.44 -47.73 66.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.953 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' A' ' 24' ' ' SER . 49.6 mt -50.38 -61.98 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.796 HD12 ' H ' ' A' ' 28' ' ' ILE . 5.1 mp -50.86 -32.98 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.455 ' CE1' ' HD2' ' A' ' 18' ' ' LYS . 65.6 t60 -76.13 -22.4 55.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.488 ' O ' ' N ' ' A' ' 33' ' ' HIS . 88.8 mmm -91.49 -58.66 2.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' ' 32' ' ' THR . 0.7 OUTLIER -36.35 -33.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.464 ' N ' ' HD2' ' A' ' 31' ' ' ARG . 8.0 t -74.31 -44.59 51.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.488 ' N ' ' O ' ' A' ' 30' ' ' MET . 6.4 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.498 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.78 0.242 . . . . 0.0 112.314 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.505 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 9.6 m-85 -130.07 141.22 50.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.16 132.76 3.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.9 t -83.14 111.72 19.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.351 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 15' ' ' GLU . 7.5 t -76.24 -39.79 53.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' SER . 6.2 mm-40 -37.84 -57.61 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.849 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.7 p -106.4 -41.55 5.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.33 74.43 0.7 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -137.76 179.19 6.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.06 155.89 46.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.074 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -148.09 111.63 5.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -38.52 -41.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.451 ' HG ' ' HD2' ' A' ' 25' ' ' TYR . 43.7 p -112.34 169.95 8.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.505 ' HB2' ' CZ ' ' A' ' 11' ' ' TYR . 17.4 ttpt -77.43 -53.64 7.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.5 m -41.6 -47.64 3.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.451 ' HD2' ' HG ' ' A' ' 22' ' ' SER . 4.1 m-85 -50.59 -45.98 57.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.8 tp -53.03 -56.93 12.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 30' ' ' MET . 49.4 mt -48.4 -57.23 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 87.3 mt -42.73 -25.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -97.02 -33.51 11.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 27' ' ' ILE . 20.8 mtp -67.73 -32.72 73.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.42 ' HB2' ' NH1' ' A' ' 31' ' ' ARG . 2.0 ptm85 -45.68 -32.83 2.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.7 p -79.69 -52.6 7.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 179.941 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.513 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 54.2 Cg_endo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.769 0.237 . . . . 0.0 112.363 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.513 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 7.9 m-85 -128.77 107.98 10.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 13' ' ' CYS . . . -120.48 84.37 0.37 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.507 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 12' ' ' GLY . 33.8 t -36.3 138.48 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.812 0.339 . . . . 0.0 110.923 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.4 t -101.16 -35.55 9.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 3.5 mp0 -43.73 -54.25 5.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.9 p -109.28 -44.92 3.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.73 55.33 0.42 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.438 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -121.03 175.81 5.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.19 154.46 51.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -141.13 112.38 7.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.2 ttp180 -41.08 -39.67 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 61.6 p -113.39 179.85 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.725 ' O ' HD12 ' A' ' 27' ' ' ILE . 23.4 ttmt -87.58 -52.12 5.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.474 ' HA ' HD13 ' A' ' 27' ' ' ILE . 16.2 t -43.34 -46.02 6.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.401 ' HA ' HD12 ' A' ' 28' ' ' ILE . 7.8 m-85 -53.76 -49.09 68.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.906 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.47 HD22 ' HB3' ' A' ' 11' ' ' TYR . 32.2 tp -50.39 -55.84 14.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.732 ' H ' HD12 ' A' ' 27' ' ' ILE . 5.4 mp -52.09 -46.76 43.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.411 ' O ' HG22 ' A' ' 28' ' ' ILE . 79.0 mt -55.4 -16.11 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -107.18 -34.61 7.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 68.8 mmm -67.4 -26.97 66.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 32' ' ' THR . 10.1 ptm180 -52.71 -34.27 51.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.413 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 73.7 p -79.81 -24.37 41.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 7.1 m-70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.512 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.794 0.248 . . . . 0.0 112.344 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.512 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 11.3 m-85 -117.12 100.75 7.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -130.71 122.92 3.71 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.44 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.5 t -65.72 152.45 44.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.2 t -115.64 -36.58 4.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -45.53 -45.5 13.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.0 p -115.21 -43.59 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 111.52 76.48 0.82 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.53 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.426 ' HD2' ' CE1' ' A' ' 29' ' ' HIS . 92.3 mttt -137.48 -178.16 5.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.735 0.302 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -137.12 164.87 27.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.807 ' CE2' HD13 ' A' ' 26' ' ' LEU . 17.5 m-85 -153.28 125.37 7.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -63.6 -26.86 68.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.7 m -140.04 -178.9 5.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.512 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -70.45 -66.11 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.489 ' HA ' HD13 ' A' ' 27' ' ' ILE . 96.8 p -34.51 -53.34 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -47.03 -44.52 20.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.807 HD13 ' CE2' ' A' ' 20' ' ' PHE . 25.7 tp -62.21 -55.13 31.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.632 ' H ' HD12 ' A' ' 27' ' ' ILE . 4.7 mp -47.88 -53.24 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.9 mt -46.74 -20.5 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.5 ' O ' HG22 ' A' ' 32' ' ' THR . 32.0 t60 -101.96 -48.32 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.9 mmt -45.82 -34.98 4.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.44 ' CZ ' ' CB ' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -49.67 -45.06 48.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 29' ' ' HIS . 1.4 t -57.06 -37.77 72.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.184 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.5 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.446 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.738 0.224 . . . . 0.0 112.295 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 23' ' ' LYS . 49.1 m-85 -109.07 105.13 14.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -123.23 115.83 2.77 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.0 t -67.47 136.97 55.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -96.89 -39.78 9.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.473 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 7.1 mp0 -40.67 -56.5 2.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.6 p -104.74 -43.69 5.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.86 57.46 0.43 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -119.37 176.18 5.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.753 0.311 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -144.63 130.66 19.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.07 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -126.17 110.75 13.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -41.15 -39.62 1.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.2 m -108.67 156.97 18.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -70.96 -48.07 55.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.8 t -48.46 -44.11 35.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -55.27 -41.97 72.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.952 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.7 tp -57.68 -56.69 18.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.412 ' C ' ' N ' ' A' ' 29' ' ' HIS . 36.4 mt -46.11 -57.78 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.3 mt -43.85 -22.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.096 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.412 ' N ' ' C ' ' A' ' 27' ' ' ILE . 11.8 t60 -97.9 -50.98 4.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 96.4 mmm -46.35 -26.62 0.86 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.427 ' HG3' ' N ' ' A' ' 32' ' ' THR . 10.2 ptm180 -52.34 -37.25 55.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.427 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 64.2 p -73.68 -24.89 60.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.473 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 9.6 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.493 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.761 0.234 . . . . 0.0 112.323 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.493 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 9.8 m-85 -109.12 99.22 8.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.41 119.24 3.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.4 t -68.61 145.41 53.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.2 p -106.89 -36.59 6.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.504 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 56.6 mm-40 -42.16 -49.51 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.7 p -111.03 -42.72 3.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.79 60.42 0.51 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.527 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -132.28 140.85 48.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.63 152.16 18.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.554 ' CD2' ' HA ' ' A' ' 26' ' ' LEU . 12.1 m-85 -132.5 132.16 42.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 ptp85 -87.87 13.45 10.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.7 t -160.59 139.89 10.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 24' ' ' SER . 15.6 tppt? -53.0 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 23' ' ' LYS . 15.4 m -37.5 -49.64 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.603 ' HA ' HD12 ' A' ' 28' ' ' ILE . 7.6 t80 -44.2 -43.72 7.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.961 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.554 ' HA ' ' CD2' ' A' ' 20' ' ' PHE . 29.0 tp -64.78 -59.84 3.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.675 ' H ' HD12 ' A' ' 27' ' ' ILE . 4.8 mp -44.62 -52.04 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.137 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' A' ' 25' ' ' TYR . 17.4 mt -48.31 -30.11 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.45 ' O ' HG23 ' A' ' 32' ' ' THR . 11.2 t60 -91.09 -39.54 12.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.472 ' CE ' ' HA ' ' A' ' 30' ' ' MET . 0.0 OUTLIER -44.31 -46.34 9.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -43.79 -41.89 5.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 29' ' ' HIS . 47.3 p -45.65 -52.85 10.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.504 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 95.4 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.825 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.491 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.784 0.244 . . . . 0.0 112.326 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.491 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 15.3 m-85 -134.26 122.94 23.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.72 115.83 1.08 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.5 t -71.77 106.24 4.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.821 0.343 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.6 m -73.69 -35.27 65.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -43.84 -62.05 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.3 p -97.63 -42.56 7.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.98 61.67 0.43 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -131.46 175.02 9.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.784 0.326 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -142.63 152.42 42.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.178 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -142.16 113.87 7.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.2 ttt-85 -40.79 -41.08 1.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -113.09 166.17 11.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' SER . 42.5 tttp -72.73 -60.0 2.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.785 ' HA ' HD12 ' A' ' 27' ' ' ILE . 36.0 p -34.8 -53.94 0.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -43.51 -48.21 7.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.3 tp -52.16 -48.95 64.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.785 HD12 ' HA ' ' A' ' 24' ' ' SER . 25.5 mt -49.28 -63.83 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.801 HD12 ' H ' ' A' ' 28' ' ' ILE . 5.4 mp -45.26 -21.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.181 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 40.7 t60 -96.39 -31.67 12.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' ILE . 3.3 mmt -76.12 -23.52 54.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.435 ' HB2' ' NH1' ' A' ' 31' ' ' ARG . 4.2 ptm85 -43.58 -33.22 1.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -88.01 -37.33 16.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.188 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.913 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.494 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.144 0 CA-C-O 120.844 0.268 . . . . 0.0 112.388 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.531 ' CE1' ' HB3' ' A' ' 23' ' ' LYS . 8.5 m-85 -115.65 94.05 4.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -119.87 114.38 2.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.519 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.7 t -57.26 138.77 54.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.348 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 m -98.19 -30.3 12.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.448 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 19.1 mm-40 -50.89 -57.99 7.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.0 p -101.88 -45.17 5.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.33 43.32 0.71 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.513 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -108.4 161.97 14.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.788 0.328 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.21 152.92 39.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.081 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.406 ' CE1' HD13 ' A' ' 26' ' ' LEU . 3.6 m-85 -144.96 113.95 6.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -44.4 -40.43 5.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t -110.95 143.59 41.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.531 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 24.2 pttm -57.92 -46.0 85.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.433 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 71.6 p -48.34 -49.97 32.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -48.84 -46.95 42.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.406 HD13 ' CE1' ' A' ' 20' ' ' PHE . 27.2 tp -58.77 -59.31 5.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 24' ' ' SER . 20.7 mt -45.57 -54.58 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 52.5 mt -48.71 -29.65 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 31' ' ' ARG . 12.2 t60 -84.96 -49.24 8.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 31' ' ' ARG . 30.4 mtp -35.3 -34.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 29' ' ' HIS . 67.6 mtm180 -34.92 -54.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.4 p -53.03 -53.59 47.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.448 ' CD2' ' HB2' ' A' ' 15' ' ' GLU . 68.2 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.813 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.797 0.249 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.767 ' HB3' HD22 ' A' ' 26' ' ' LEU . 93.9 m-85 -125.87 25.98 6.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -42.97 118.36 1.85 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.5 t -62.5 114.18 3.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.835 0.35 . . . . 0.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.6 m -92.44 44.75 1.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.816 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -131.35 -42.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 17' ' ' GLY . 22.2 p -126.82 -46.42 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.402 ' N ' ' SG ' ' A' ' 16' ' ' CYS . . . 129.16 68.33 0.12 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.512 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -125.61 179.64 5.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.757 0.313 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -139.45 152.32 46.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.095 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -153.8 137.05 15.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.48 19.89 14.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 m -167.45 144.69 4.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -54.13 -43.63 70.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.8 m -55.4 -63.82 1.04 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.836 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.768 ' HA ' HD12 ' A' ' 28' ' ' ILE . 2.9 m-85 -41.5 -42.0 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.945 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.767 HD22 ' HB3' ' A' ' 11' ' ' TYR . 54.0 tp -60.59 -55.56 31.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.3 mt -52.1 -37.57 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.768 HD12 ' HA ' ' A' ' 25' ' ' TYR . 62.0 mt -60.01 -22.26 23.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.652 ' O ' HG22 ' A' ' 32' ' ' THR . 68.0 t60 -101.68 -40.93 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 17.9 mtp -68.34 -23.46 64.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -49.31 -32.31 10.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 29' ' ' HIS . 14.1 t -90.63 -19.41 23.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.943 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.825 0.26 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.419 ' CE1' ' HB2' ' A' ' 23' ' ' LYS . 83.2 m-85 -118.58 22.41 12.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -60.66 115.38 7.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.4 t -53.78 112.6 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.851 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.5 m -93.74 45.41 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -131.4 -42.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.2 p -123.69 -44.0 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 129.53 54.76 0.1 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.444 ' HG3' ' CE1' ' A' ' 29' ' ' HIS . 8.2 mmmt -118.5 163.58 16.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.595 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -126.65 155.85 41.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 19' ' ' ALA . 8.7 m-85 -156.27 144.83 20.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -100.3 19.06 17.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.9 t -158.15 138.61 12.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 26' ' ' LEU . 26.1 ttpt -56.67 -71.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 23' ' ' LYS . 68.2 p -35.65 -40.12 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.454 ' HA ' HD12 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -57.26 -47.79 80.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 23' ' ' LYS . 60.1 tp -58.81 -52.77 64.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 24' ' ' SER . 54.1 mt -48.97 -48.11 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 25' ' ' TYR . 18.4 mt -59.15 -20.18 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.444 ' CE1' ' HG3' ' A' ' 18' ' ' LYS . 37.8 t60 -97.62 -23.05 16.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.829 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.403 ' C ' ' N ' ' A' ' 32' ' ' THR . 22.3 mtp -85.55 -54.77 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.6 -23.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.403 ' N ' ' C ' ' A' ' 30' ' ' MET . 70.0 p -78.74 -50.65 11.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 32' ' ' THR . 15.7 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.84 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.517 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.193 0 CA-C-O 120.829 0.262 . . . . 0.0 112.34 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.517 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 21.7 m-85 -133.71 87.06 2.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -116.41 118.78 4.3 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.51 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.1 t -61.04 111.48 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.844 0.354 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 t -92.65 44.6 1.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.484 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 5.4 mm-40 -130.85 -42.06 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.2 p -118.74 -44.1 2.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.17 55.89 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -132.91 169.69 16.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.769 0.319 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.496 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -135.89 174.88 10.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.508 ' CE1' ' CD1' ' A' ' 26' ' ' LEU . 2.4 m-85 -160.54 111.63 1.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -44.57 -40.55 5.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.7 t -112.28 148.61 33.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.23 -38.82 77.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.675 ' O ' HD12 ' A' ' 28' ' ' ILE . 22.8 t -54.66 -64.17 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.727 ' HA ' HD13 ' A' ' 28' ' ' ILE . 10.5 m-85 -35.89 -54.04 0.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.508 ' CD1' ' CE1' ' A' ' 20' ' ' PHE . 14.3 tp -45.28 -54.96 6.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.956 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.519 HD12 ' HA ' ' A' ' 24' ' ' SER . 45.3 mt -47.43 -63.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.813 ' H ' HD12 ' A' ' 28' ' ' ILE . 5.4 mp -37.26 -29.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.48 ' N ' ' O ' ' A' ' 27' ' ' ILE . 28.6 t60 -90.26 -54.62 3.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' ARG . 8.8 mmt -40.75 -27.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' MET . 58.6 mtm180 -36.54 -58.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.8 p -55.75 -50.24 70.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.484 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 68.4 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.441 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.796 0.248 . . . . 0.0 112.356 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.441 ' CE2' ' HG2' ' A' ' 10' ' ' PRO . 9.6 m-85 -89.72 115.39 27.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.04 121.7 2.06 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.4 t -57.97 118.2 5.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.819 0.342 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.7 t -95.02 43.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.45 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 5.0 mm-40 -132.99 -38.46 0.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.6 p -119.81 -47.27 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.37 48.72 0.2 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -119.96 176.65 5.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.798 0.332 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.551 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -137.53 166.54 23.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.551 ' CD1' ' C ' ' A' ' 19' ' ' ALA . 1.2 m-85 -155.95 113.3 3.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.7 tpt85 -47.96 -37.98 15.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t -109.14 147.94 31.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.45 ' HG2' HD11 ' A' ' 27' ' ' ILE . 31.3 tttp -60.02 -61.81 2.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.455 ' HA ' HD13 ' A' ' 27' ' ' ILE . 41.1 t -39.9 -44.96 1.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.51 ' HA ' HD12 ' A' ' 28' ' ' ILE . 7.3 m-85 -51.96 -45.33 64.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.907 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.8 tp -57.03 -58.68 7.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.804 ' H ' HD12 ' A' ' 27' ' ' ILE . 5.1 mp -47.85 -61.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 25' ' ' TYR . 18.6 mt -38.5 -36.81 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -77.55 -49.71 14.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 81.9 mmm -42.86 -25.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -46.87 -37.44 8.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.7 t -67.69 -31.97 72.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.45 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 92.2 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.833 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.418 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.172 0 CA-C-O 120.803 0.251 . . . . 0.0 112.386 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.418 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 39.0 m-85 -123.96 151.95 43.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.3 131.77 2.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.3 t -79.05 130.35 35.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.0 t -106.42 41.21 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -130.98 -45.66 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.4 p -115.82 -48.82 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.56 69.95 0.21 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.526 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -146.34 168.25 21.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.743 0.306 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.59 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -133.78 171.0 14.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.59 ' CD1' ' C ' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -149.9 129.71 13.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -63.8 -28.99 70.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.7 m -112.18 174.18 6.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.818 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.5 tttp -85.82 -66.19 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.6 t -41.03 -41.71 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.424 ' HA ' HD12 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -51.4 -55.77 16.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 -179.898 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.408 ' HA ' ' CD2' ' A' ' 20' ' ' PHE . 25.0 tp -46.28 -56.24 6.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.3 mt -48.1 -59.25 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.424 HD12 ' HA ' ' A' ' 25' ' ' TYR . 72.9 mt -40.03 -39.64 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.157 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -73.29 -51.41 17.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.433 ' O ' ' C ' ' A' ' 31' ' ' ARG . 82.1 mmm -44.28 -35.28 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 30' ' ' MET . 62.4 mtp180 -35.58 -61.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.4 p -40.65 -57.52 1.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 179.914 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.464 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.754 0.231 . . . . 0.0 112.333 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.464 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 55.0 m-85 -117.92 157.56 26.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.68 131.36 1.71 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.6 t -81.0 118.27 22.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.3 t -80.2 -37.0 34.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -40.55 -60.16 1.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.6 p -102.91 -44.01 5.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.69 63.52 0.31 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.66 165.98 16.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.64 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -125.43 159.75 31.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.64 ' CD1' ' C ' ' A' ' 19' ' ' ALA . 12.8 m-85 -155.9 123.92 5.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.869 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.9 ttp-105 -84.27 34.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.2 t -172.4 130.55 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -48.85 -64.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.936 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.877 ' HA ' HD12 ' A' ' 27' ' ' ILE . 50.6 m -45.57 -59.35 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.468 ' HA ' HD12 ' A' ' 28' ' ' ILE . 2.3 t80 -37.26 -44.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.93 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.3 tp -62.61 -53.89 47.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.877 HD12 ' HA ' ' A' ' 24' ' ' SER . 21.9 mt -45.03 -36.72 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.13 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 25' ' ' TYR . 74.5 mt -62.48 -35.01 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.134 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.514 ' O ' HG22 ' A' ' 32' ' ' THR . 72.1 t60 -90.89 -24.75 20.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 71.0 mmm -83.73 -22.45 31.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.28 -31.56 38.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 29' ' ' HIS . 13.3 t -72.41 -29.75 64.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.124 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 179.942 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.498 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.806 0.253 . . . . 0.0 112.336 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.498 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 28.0 m-85 -120.72 120.93 37.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -146.61 117.75 0.97 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.3 t -70.51 116.76 11.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.826 0.346 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 15' ' ' GLU . 66.9 p -76.25 -38.55 56.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 14' ' ' SER . 76.0 mm-40 -37.0 -61.77 0.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.6 p -101.69 -41.17 6.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 111.56 59.65 0.46 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -125.09 174.59 7.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.09 164.22 30.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.138 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -154.46 116.32 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.408 ' HD3' ' C ' ' A' ' 21' ' ' ARG . 0.6 OUTLIER -46.55 -35.56 5.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 m -110.66 177.13 4.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -85.15 -57.0 3.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.6 p -39.48 -48.49 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -51.55 -42.28 61.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.448 HD22 ' HB3' ' A' ' 11' ' ' TYR . 60.5 tp -59.91 -55.77 29.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 30' ' ' MET . 55.9 mt -50.56 -63.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.4 mt -41.45 -31.41 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.145 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -86.42 -32.37 20.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.476 ' N ' ' O ' ' A' ' 27' ' ' ILE . 25.0 mtp -84.94 16.61 3.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -88.38 -37.9 15.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.8 t -77.8 -27.81 50.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.943 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.794 0.247 . . . . 0.0 112.329 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.503 ' CE1' ' HB2' ' A' ' 23' ' ' LYS . 10.1 m-85 -95.37 95.61 8.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.42 105.97 0.63 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.512 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.9 t -50.57 142.36 10.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 m -99.68 -36.67 9.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.2 mp0 -44.27 -57.44 3.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.1 p -102.63 -45.41 5.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.65 54.29 0.47 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -115.67 179.71 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.473 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -134.37 165.26 25.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.552 ' CD1' HD13 ' A' ' 26' ' ' LEU . 8.3 m-85 -157.04 106.97 2.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' PHE . 38.4 ptt180 -38.26 -38.68 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.7 p -117.86 155.78 29.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.503 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -64.55 -55.44 20.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.809 ' O ' HD12 ' A' ' 28' ' ' ILE . 47.6 m -36.97 -55.54 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -47.02 -39.88 13.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.552 HD13 ' CD1' ' A' ' 20' ' ' PHE . 52.3 tp -61.31 -48.5 81.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.577 HD13 ' HA ' ' A' ' 24' ' ' SER . 3.9 mp -52.92 -62.24 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.809 HD12 ' O ' ' A' ' 24' ' ' SER . 5.1 mp -51.78 -16.46 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.408 ' CG ' ' CZ ' ' A' ' 20' ' ' PHE . 10.7 t60 -97.53 -22.31 16.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 41.4 mtp -91.04 -29.08 17.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.471 ' NE ' ' HA ' ' A' ' 28' ' ' ILE . 14.6 ptp180 -58.16 -26.04 62.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.1 t -86.18 -33.02 20.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.941 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.549 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.803 0.251 . . . . 0.0 112.332 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.549 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 2.5 m-85 -123.64 131.94 53.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -152.35 117.98 0.85 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 52.2 t -71.14 123.63 22.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.5 t -87.12 -32.35 19.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.535 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 7.0 mm-40 -42.6 -58.72 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.8 p -101.51 -44.98 5.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.3 56.4 0.33 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -120.91 173.07 7.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -136.9 144.15 43.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.411 ' CE2' HD13 ' A' ' 26' ' ' LEU . 9.7 m-85 -134.56 117.85 16.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -49.03 -39.76 28.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 t -114.02 174.13 6.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.516 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 37.6 tttm -87.37 -48.41 8.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.605 ' HA ' HD12 ' A' ' 27' ' ' ILE . 76.0 p -47.91 -30.26 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -73.83 -43.35 59.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.411 HD13 ' CE2' ' A' ' 20' ' ' PHE . 21.2 tp -53.71 -52.17 60.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' A' ' 24' ' ' SER . 17.4 mt -44.91 -59.47 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 52.0 mt -40.88 -24.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.463 ' N ' ' O ' ' A' ' 27' ' ' ILE . 57.3 t60 -97.64 -51.02 4.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.831 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.533 ' HE3' ' HA ' ' A' ' 30' ' ' MET . 0.0 OUTLIER -41.38 -31.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -51.86 -44.0 63.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 t -62.87 -30.0 71.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.535 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 60.7 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' SER . 86.4 p -145.57 166.84 24.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' SER . 65.7 m -37.64 123.95 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.11 88.96 0.29 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.5 p -99.65 148.3 24.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.915 0.388 . . . . 0.0 110.862 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 m -90.59 -48.01 7.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.52 98.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.4 m -132.12 161.24 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.873 0.368 . . . . 0.0 111.155 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.2 mttp -147.72 152.63 41.59 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.542 0.687 . . . . 0.0 110.929 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.517 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 54.0 Cg_endo -69.76 -8.97 24.95 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.643 2.228 . . . . 0.0 112.35 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.517 ' CE2' ' HG2' ' A' ' 10' ' ' PRO . 13.3 m-85 -131.48 132.75 44.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.78 90.44 0.12 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.438 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.1 t -42.85 144.57 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.7 t -98.64 -42.95 7.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.543 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 0.3 OUTLIER -38.83 -60.19 0.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -97.51 -44.13 6.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.22 43.73 1.34 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -111.17 177.65 4.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.48 159.18 42.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 1.6 m-85 -146.41 112.2 5.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.923 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -41.25 -41.69 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -109.51 159.26 17.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -68.44 -55.11 12.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -39.71 -53.12 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -45.68 -49.51 14.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.1 tp -55.08 -59.65 4.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.0 mt -45.87 -62.7 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.5 mt -41.6 -38.74 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.077 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -72.81 -50.88 21.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 55.4 mmm -41.1 -34.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -40.93 -48.13 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.4 p -57.0 -48.78 77.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.543 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 37.6 m-70 -61.06 -55.72 29.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.2 p -52.19 -57.08 10.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.86 163.04 52.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.17 163.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.923 0.392 . . . . 0.0 110.879 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.43 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 30.1 mttm 58.77 54.53 5.31 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.624 0.726 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.43 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 53.2 Cg_endo -69.79 -45.21 1.65 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.322 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.3 t -95.66 111.56 23.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.06 -94.37 2.05 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -10.18 27.93 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.671 2.247 . . . . 0.0 112.355 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.8 p -75.29 87.18 2.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.7 m -101.04 -62.41 1.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.095 -0.836 . . . . 0.0 112.473 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 p -149.27 118.47 6.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.88 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.7 m -86.83 97.76 10.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.26 -69.87 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.6 m 51.15 44.62 28.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.897 0.379 . . . . 0.0 110.875 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 t -39.75 117.7 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.89 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.03 126.99 8.45 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.1 m -122.79 162.05 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 111.116 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.437 ' HE3' ' CA ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -67.48 143.95 97.48 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.534 0.683 . . . . 0.0 110.919 179.857 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -16.21 37.14 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.642 2.228 . . . . 0.0 112.32 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 23' ' ' LYS . 61.3 m-85 -114.84 157.21 23.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.68 134.99 2.83 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.531 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.5 t -77.12 120.24 21.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 110.877 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.1 p -100.34 39.57 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -125.25 -54.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.2 p -110.31 -44.4 3.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.37 84.2 0.51 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -156.46 167.65 29.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.47 172.39 10.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.113 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.717 ' CE1' HD13 ' A' ' 26' ' ' LEU . 5.8 m-85 -150.67 123.63 8.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.409 ' C ' ' HD2' ' A' ' 21' ' ' ARG . 0.8 OUTLIER -60.07 -30.87 69.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.7 t -127.66 178.16 6.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 11' ' ' TYR . 11.5 ptmt -74.95 -40.93 60.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.1 m -59.44 -50.98 71.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -46.81 -30.0 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.717 HD13 ' CE1' ' A' ' 20' ' ' PHE . 19.1 tp -78.48 -46.53 19.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.4 mt -58.97 -40.14 79.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 81.7 mt -62.72 -27.25 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -95.4 -21.89 18.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 31' ' ' ARG . 4.5 mmt -80.24 -49.6 11.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 30' ' ' MET . 16.0 ptp180 -36.09 -35.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.6 p -74.58 -49.53 21.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -53.9 -54.76 34.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.9 t -172.94 146.6 1.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 36' ' ' GLU . . . 93.51 150.84 27.32 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.467 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 35' ' ' GLY . 30.5 mt-10 37.97 41.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.86 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -107.59 80.96 1.02 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.574 0.702 . . . . 0.0 110.949 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -27.92 26.04 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.4 m -73.51 145.29 45.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -101.53 -95.06 2.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.445 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 42' ' ' SER . 53.8 Cg_endo -69.75 -50.6 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.68 2.253 . . . . 0.0 112.354 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 41' ' ' PRO . 19.3 m 34.36 47.98 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 44' ' ' GLY . 80.1 p -80.04 47.43 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 43' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p -173.15 106.82 0.15 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.902 0.382 . . . . 0.0 110.825 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -101.88 144.36 30.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.93 60.68 0.57 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.455 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.7 p -127.0 160.58 30.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.872 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -167.63 140.82 3.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.828 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.28 120.46 3.23 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.538 ' O ' HG13 ' A' ' 8' ' ' VAL . 12.7 p -157.64 117.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 111.149 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.459 ' N ' ' HE2' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -82.93 151.05 63.18 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.562 0.696 . . . . 0.0 110.947 179.876 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.404 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.72 -11.2 30.41 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.404 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 59.1 m-85 -121.07 80.13 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.83 109.32 3.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.5 t -43.71 112.75 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.819 0.342 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.1 t -92.84 41.32 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -127.88 -49.23 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.0 p -116.2 -44.34 2.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.57 68.63 0.15 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -131.65 171.54 13.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.343 . . . . 0.0 110.842 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -137.77 145.61 42.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.553 ' CE1' ' CD1' ' A' ' 26' ' ' LEU . 14.9 m-85 -143.04 147.38 34.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -96.39 17.54 15.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.834 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.4 t -159.77 121.16 3.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -38.16 -45.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.754 ' O ' HD12 ' A' ' 28' ' ' ILE . 2.2 t -57.71 -62.06 2.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.46 ' HA ' HD13 ' A' ' 28' ' ' ILE . 6.0 m-85 -34.57 -43.23 0.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.553 ' CD1' ' CE1' ' A' ' 20' ' ' PHE . 65.6 tp -58.47 -56.45 21.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 30' ' ' MET . 68.8 mt -47.47 -60.52 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.769 HD12 ' H ' ' A' ' 28' ' ' ILE . 5.4 mp -43.75 -24.23 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.093 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -95.76 -32.52 12.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 27' ' ' ILE . 31.4 mtp -70.89 -32.43 69.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 32' ' ' THR . 29.2 ptt180 -41.71 -41.3 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.469 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 43.7 p -62.91 -51.17 67.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -53.41 -45.9 69.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.1 t -135.54 132.98 37.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.24 -49.57 0.48 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 37' ' ' LYS . 10.7 tm-20 -53.61 105.18 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.877 0.37 . . . . 0.0 110.876 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 36' ' ' GLU . 23.7 mtmm -36.48 145.14 0.25 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.606 0.717 . . . . 0.0 110.856 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -4.38 13.9 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.616 2.211 . . . . 0.0 112.388 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.5 t -134.48 114.47 12.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -179.93 -169.5 40.24 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.443 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -7.54 21.33 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.625 2.217 . . . . 0.0 112.335 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.6 t -97.69 110.89 23.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 84.3 p -71.67 104.56 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.491 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -113.26 85.32 2.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.87 0.367 . . . . 0.0 110.883 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -124.65 42.22 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.826 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.96 166.38 25.98 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.506 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.1 t -80.72 118.81 22.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 110.866 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.3 t -128.91 89.97 2.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.24 -139.52 9.25 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.7 t -119.64 108.04 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.381 . . . . 0.0 111.131 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.61 149.89 40.08 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.591 0.71 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.558 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.7 Cg_endo -69.7 -21.61 33.54 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.7 2.267 . . . . 0.0 112.362 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.558 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 19.4 m-85 -111.15 111.5 22.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.81 110.49 0.92 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.515 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.0 t -45.47 133.81 7.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 t -107.64 42.67 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -134.18 -46.87 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.4 p -120.99 -45.86 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.02 85.91 0.75 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.455 ' HD2' ' CE1' ' A' ' 29' ' ' HIS . 71.6 mttt -154.44 160.5 41.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.405 ' C ' ' CG ' ' A' ' 20' ' ' PHE . . . -120.43 167.17 12.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.102 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.413 ' CD1' ' HB2' ' A' ' 26' ' ' LEU . 11.7 m-85 -156.69 113.17 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.85 -29.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.6 m -118.45 153.96 33.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.538 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 33.6 pttt -68.57 -36.81 79.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.757 ' O ' HD12 ' A' ' 28' ' ' ILE . 39.6 p -57.64 -56.63 19.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -43.45 -37.23 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.413 ' HB2' ' CD1' ' A' ' 20' ' ' PHE . 12.7 tp -68.44 -47.73 66.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.953 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' A' ' 24' ' ' SER . 49.6 mt -50.38 -61.98 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.796 HD12 ' H ' ' A' ' 28' ' ' ILE . 5.1 mp -50.86 -32.98 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.455 ' CE1' ' HD2' ' A' ' 18' ' ' LYS . 65.6 t60 -76.13 -22.4 55.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.488 ' O ' ' N ' ' A' ' 33' ' ' HIS . 88.8 mmm -91.49 -58.66 2.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' ' 32' ' ' THR . 0.7 OUTLIER -36.35 -33.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.464 ' N ' ' HD2' ' A' ' 31' ' ' ARG . 8.0 t -74.31 -44.59 51.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.488 ' N ' ' O ' ' A' ' 30' ' ' MET . 6.4 m-70 -44.03 -59.38 2.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.8 p -115.97 -57.73 2.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.183 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 49.58 74.39 0.28 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.48 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -133.92 41.34 3.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.907 0.384 . . . . 0.0 110.875 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -124.04 79.24 58.56 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.568 0.699 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 39' ' ' SER . 54.2 Cg_endo -69.78 -14.26 35.79 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.703 2.269 . . . . 0.0 112.348 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 38' ' ' PRO . 6.6 t -34.54 113.72 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.97 76.21 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -33.47 16.52 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.627 2.218 . . . . 0.0 112.368 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.1 m -83.38 -51.53 7.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.1 p -64.6 -47.53 78.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.451 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 m -124.68 99.69 6.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.866 0.365 . . . . 0.0 110.854 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -142.13 146.82 35.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.64 -101.29 0.49 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.509 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -56.42 142.5 38.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.933 0.396 . . . . 0.0 110.87 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.3 p -84.93 55.5 3.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.12 175.77 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.8 m -131.24 33.81 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 111.123 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -139.02 144.35 40.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.52 0.676 . . . . 0.0 110.913 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.498 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.2 Cg_endo -69.79 -25.28 28.6 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.314 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.505 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 9.6 m-85 -130.07 141.22 50.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.16 132.76 3.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.9 t -83.14 111.72 19.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.351 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 15' ' ' GLU . 7.5 t -76.24 -39.79 53.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' SER . 6.2 mm-40 -37.84 -57.61 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.849 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.7 p -106.4 -41.55 5.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.33 74.43 0.7 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -137.76 179.19 6.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.06 155.89 46.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.074 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -148.09 111.63 5.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -38.52 -41.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.451 ' HG ' ' HD2' ' A' ' 25' ' ' TYR . 43.7 p -112.34 169.95 8.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.505 ' HB2' ' CZ ' ' A' ' 11' ' ' TYR . 17.4 ttpt -77.43 -53.64 7.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.5 m -41.6 -47.64 3.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.451 ' HD2' ' HG ' ' A' ' 22' ' ' SER . 4.1 m-85 -50.59 -45.98 57.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.8 tp -53.03 -56.93 12.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 30' ' ' MET . 49.4 mt -48.4 -57.23 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 87.3 mt -42.73 -25.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -97.02 -33.51 11.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 27' ' ' ILE . 20.8 mtp -67.73 -32.72 73.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.42 ' HB2' ' NH1' ' A' ' 31' ' ' ARG . 2.0 ptm85 -45.68 -32.83 2.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.7 p -79.69 -52.6 7.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -45.21 -56.65 4.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.0 t -109.42 148.67 30.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.48 46.1 34.16 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.531 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -123.16 70.38 1.03 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.935 0.397 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -120.12 74.38 21.03 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.566 0.698 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -6.33 18.37 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.697 2.265 . . . . 0.0 112.328 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.7 p -130.01 172.69 11.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.6 -94.88 2.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 162.02 43.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.703 2.268 . . . . 0.0 112.372 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.6 t -171.9 165.85 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 78.3 p -124.12 -62.45 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.477 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -166.07 142.61 5.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.844 0.354 . . . . 0.0 110.821 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t -136.41 125.68 24.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.77 -73.03 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 m -48.23 122.47 5.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.358 . . . . 0.0 110.882 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 m -44.25 143.74 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.816 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.72 78.36 0.78 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.445 ' O ' ' C ' ' A' ' 9' ' ' LYS . 18.8 m -125.84 120.32 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 0.0 111.175 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -34.3 143.7 0.2 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.544 0.688 . . . . 0.0 110.921 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.513 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 54.2 Cg_endo -69.78 -28.66 24.87 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.513 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 7.9 m-85 -128.77 107.98 10.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 13' ' ' CYS . . . -120.48 84.37 0.37 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.507 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 12' ' ' GLY . 33.8 t -36.3 138.48 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.812 0.339 . . . . 0.0 110.923 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.4 t -101.16 -35.55 9.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 3.5 mp0 -43.73 -54.25 5.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.9 p -109.28 -44.92 3.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.73 55.33 0.42 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.438 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -121.03 175.81 5.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.19 154.46 51.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -141.13 112.38 7.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.2 ttp180 -41.08 -39.67 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 61.6 p -113.39 179.85 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.725 ' O ' HD12 ' A' ' 27' ' ' ILE . 23.4 ttmt -87.58 -52.12 5.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.474 ' HA ' HD13 ' A' ' 27' ' ' ILE . 16.2 t -43.34 -46.02 6.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.401 ' HA ' HD12 ' A' ' 28' ' ' ILE . 7.8 m-85 -53.76 -49.09 68.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.906 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.47 HD22 ' HB3' ' A' ' 11' ' ' TYR . 32.2 tp -50.39 -55.84 14.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.732 ' H ' HD12 ' A' ' 27' ' ' ILE . 5.4 mp -52.09 -46.76 43.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.411 ' O ' HG22 ' A' ' 28' ' ' ILE . 79.0 mt -55.4 -16.11 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -107.18 -34.61 7.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 68.8 mmm -67.4 -26.97 66.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 32' ' ' THR . 10.1 ptm180 -52.71 -34.27 51.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.413 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 73.7 p -79.81 -24.37 41.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 7.1 m-70 -72.12 -49.76 33.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.0 p -71.3 105.9 3.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.73 72.5 0.22 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.455 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -120.99 83.1 2.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.915 0.388 . . . . 0.0 110.932 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.23 148.43 29.18 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.613 0.72 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 166.11 28.71 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.0 t -118.57 98.03 6.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.24 -165.0 28.28 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -13.27 34.46 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.656 2.238 . . . . 0.0 112.338 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 43' ' ' SER . 4.4 m -55.47 -39.8 70.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 42' ' ' SER . 60.3 p -35.71 122.7 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.877 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.507 -179.947 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -124.24 89.15 3.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.349 . . . . 0.0 110.833 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.3 p -84.81 -43.02 14.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.58 161.91 23.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.0 p -104.86 42.86 1.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 110.84 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -162.06 156.0 21.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.82 169.17 29.32 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.5 m -100.38 22.91 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 111.086 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -134.14 80.34 53.73 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.571 0.7 . . . . 0.0 110.923 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.512 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.8 -24.41 29.53 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.512 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 11.3 m-85 -117.12 100.75 7.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -130.71 122.92 3.71 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.44 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.5 t -65.72 152.45 44.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.2 t -115.64 -36.58 4.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -45.53 -45.5 13.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.0 p -115.21 -43.59 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 111.52 76.48 0.82 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.53 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.426 ' HD2' ' CE1' ' A' ' 29' ' ' HIS . 92.3 mttt -137.48 -178.16 5.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.735 0.302 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -137.12 164.87 27.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.807 ' CE2' HD13 ' A' ' 26' ' ' LEU . 17.5 m-85 -153.28 125.37 7.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -63.6 -26.86 68.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.7 m -140.04 -178.9 5.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.512 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -70.45 -66.11 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.489 ' HA ' HD13 ' A' ' 27' ' ' ILE . 96.8 p -34.51 -53.34 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -47.03 -44.52 20.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.807 HD13 ' CE2' ' A' ' 20' ' ' PHE . 25.7 tp -62.21 -55.13 31.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.632 ' H ' HD12 ' A' ' 27' ' ' ILE . 4.7 mp -47.88 -53.24 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.9 mt -46.74 -20.5 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.5 ' O ' HG22 ' A' ' 32' ' ' THR . 32.0 t60 -101.96 -48.32 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.9 mmt -45.82 -34.98 4.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.44 ' CZ ' ' CB ' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -49.67 -45.06 48.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 29' ' ' HIS . 1.4 t -57.06 -37.77 72.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.184 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.5 m-70 -73.57 -58.17 3.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.599 HG23 ' O ' ' A' ' 34' ' ' THR . 8.9 t -126.67 110.71 13.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -177.8 -61.0 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.498 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -134.09 143.81 48.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.906 0.384 . . . . 0.0 110.914 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -111.74 153.74 44.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.535 0.683 . . . . 0.0 110.947 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 39' ' ' SER . 53.3 Cg_endo -69.78 2.83 3.19 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.658 2.239 . . . . 0.0 112.316 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 38' ' ' PRO . 7.3 t -34.52 134.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.21 -95.26 0.7 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.481 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 131.12 20.66 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.353 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 57.8 p -81.93 85.62 6.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.0 t -121.22 -58.29 1.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.091 -0.838 . . . . 0.0 112.451 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -114.93 94.49 4.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.876 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -68.89 99.33 1.04 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.852 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.79 -49.74 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.462 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t 61.92 40.39 12.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.898 0.38 . . . . 0.0 110.84 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 p -41.26 -56.57 2.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.16 -25.65 2.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.1 t 53.5 54.83 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.926 0.393 . . . . 0.0 111.137 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.618 ' HB2' ' HB1' ' A' ' 19' ' ' ALA . 4.9 mptp? -76.79 144.39 72.82 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.58 0.705 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.446 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.5 Cg_endo -69.83 -28.89 24.38 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.257 . . . . 0.0 112.295 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 23' ' ' LYS . 49.1 m-85 -109.07 105.13 14.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -123.23 115.83 2.77 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.0 t -67.47 136.97 55.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -96.89 -39.78 9.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.473 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 7.1 mp0 -40.67 -56.5 2.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.6 p -104.74 -43.69 5.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.86 57.46 0.43 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -119.37 176.18 5.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.753 0.311 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.618 ' HB1' ' HB2' ' A' ' 9' ' ' LYS . . . -144.63 130.66 19.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.07 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -126.17 110.75 13.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -41.15 -39.62 1.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.2 m -108.67 156.97 18.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -70.96 -48.07 55.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.8 t -48.46 -44.11 35.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -55.27 -41.97 72.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.952 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.7 tp -57.68 -56.69 18.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.412 ' C ' ' N ' ' A' ' 29' ' ' HIS . 36.4 mt -46.11 -57.78 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.3 mt -43.85 -22.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.096 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.412 ' N ' ' C ' ' A' ' 27' ' ' ILE . 11.8 t60 -97.9 -50.98 4.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 96.4 mmm -46.35 -26.62 0.86 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.427 ' HG3' ' N ' ' A' ' 32' ' ' THR . 10.2 ptm180 -52.34 -37.25 55.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.427 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 64.2 p -73.68 -24.89 60.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.473 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 9.6 m-70 -73.94 -49.4 24.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.1 t -129.89 139.85 51.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.2 -111.05 0.27 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.49 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -114.51 80.44 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.944 0.402 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.8 80.94 64.58 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.557 0.694 . . . . 0.0 110.899 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 81.48 0.81 Allowed 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.714 2.276 . . . . 0.0 112.384 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.5 m -145.63 142.35 28.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.03 -158.21 22.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 140.6 43.09 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.727 2.285 . . . . 0.0 112.344 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t -109.77 161.9 14.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.849 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.2 t -150.46 112.23 4.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.448 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 1' ' ' GLY . 94.0 p -35.7 116.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.892 0.377 . . . . 0.0 110.849 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.1 p -172.82 139.16 0.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.24 85.76 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.516 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -141.98 142.24 32.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.839 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -82.58 130.8 35.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.29 164.72 13.92 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.8 t -119.1 90.22 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 111.143 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.443 ' HB2' ' HB1' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -78.57 146.51 69.71 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.589 0.709 . . . . 0.0 110.864 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.493 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.5 Cg_endo -69.81 -30.54 21.88 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.323 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.493 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 9.8 m-85 -109.12 99.22 8.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.41 119.24 3.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.4 t -68.61 145.41 53.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.2 p -106.89 -36.59 6.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.504 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 56.6 mm-40 -42.16 -49.51 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.7 p -111.03 -42.72 3.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.79 60.42 0.51 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.527 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -132.28 140.85 48.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.443 ' HB1' ' HB2' ' A' ' 9' ' ' LYS . . . -95.63 152.16 18.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.554 ' CD2' ' HA ' ' A' ' 26' ' ' LEU . 12.1 m-85 -132.5 132.16 42.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 ptp85 -87.87 13.45 10.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.7 t -160.59 139.89 10.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 24' ' ' SER . 15.6 tppt? -53.0 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 23' ' ' LYS . 15.4 m -37.5 -49.64 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.603 ' HA ' HD12 ' A' ' 28' ' ' ILE . 7.6 t80 -44.2 -43.72 7.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.961 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.554 ' HA ' ' CD2' ' A' ' 20' ' ' PHE . 29.0 tp -64.78 -59.84 3.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.675 ' H ' HD12 ' A' ' 27' ' ' ILE . 4.8 mp -44.62 -52.04 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.137 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' A' ' 25' ' ' TYR . 17.4 mt -48.31 -30.11 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.45 ' O ' HG23 ' A' ' 32' ' ' THR . 11.2 t60 -91.09 -39.54 12.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.472 ' CE ' ' HA ' ' A' ' 30' ' ' MET . 0.0 OUTLIER -44.31 -46.34 9.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -43.79 -41.89 5.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 29' ' ' HIS . 47.3 p -45.65 -52.85 10.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.504 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 95.4 m-70 -64.11 -42.21 96.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.825 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.22 78.0 1.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.0 175.37 32.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -101.25 87.5 3.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.918 0.389 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -109.29 161.28 24.51 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.586 0.708 . . . . 0.0 110.939 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -5.53 16.38 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.731 2.287 . . . . 0.0 112.386 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.0 m -103.49 -61.52 1.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.826 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 63.39 61.37 6.36 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -27.11 26.78 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.623 2.215 . . . . 0.0 112.354 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.8 t -57.23 130.21 45.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.7 t -127.3 152.4 47.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.46 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 t -99.3 141.32 32.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.365 . . . . 0.0 110.854 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.2 p -78.44 86.19 4.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.81 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.93 58.7 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.9 m -124.7 166.98 15.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.354 . . . . 0.0 110.871 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -80.83 109.86 15.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.84 63.18 0.28 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.8 m -84.42 -19.21 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 0.0 111.112 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.9 147.13 99.15 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.55 0.691 . . . . 0.0 110.92 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.491 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.7 Cg_endo -69.74 -20.83 34.43 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.692 2.261 . . . . 0.0 112.326 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.491 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 15.3 m-85 -134.26 122.94 23.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.72 115.83 1.08 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.5 t -71.77 106.24 4.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.821 0.343 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.6 m -73.69 -35.27 65.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -43.84 -62.05 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.3 p -97.63 -42.56 7.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.98 61.67 0.43 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -131.46 175.02 9.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.784 0.326 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -142.63 152.42 42.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.178 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -142.16 113.87 7.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.2 ttt-85 -40.79 -41.08 1.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -113.09 166.17 11.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' SER . 42.5 tttp -72.73 -60.0 2.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.785 ' HA ' HD12 ' A' ' 27' ' ' ILE . 36.0 p -34.8 -53.94 0.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -43.51 -48.21 7.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.3 tp -52.16 -48.95 64.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.785 HD12 ' HA ' ' A' ' 24' ' ' SER . 25.5 mt -49.28 -63.83 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.801 HD12 ' H ' ' A' ' 28' ' ' ILE . 5.4 mp -45.26 -21.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.181 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 40.7 t60 -96.39 -31.67 12.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' ILE . 3.3 mmt -76.12 -23.52 54.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.435 ' HB2' ' NH1' ' A' ' 31' ' ' ARG . 4.2 ptm85 -43.58 -33.22 1.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -88.01 -37.33 16.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.188 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -61.92 -36.83 82.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.5 p -83.47 45.2 1.03 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 59.21 149.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -121.68 79.43 1.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.0 pttt -76.05 143.95 74.76 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.561 0.696 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -179.32 2.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.359 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.3 p -142.95 107.26 4.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.787 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -98.54 -178.22 32.55 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -17.11 37.75 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.247 . . . . 0.0 112.374 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.8 p -51.99 -22.21 3.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.6 t -98.54 155.41 17.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.507 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 p -108.83 86.69 2.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 110.853 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.8 p -108.91 -52.95 2.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.3 165.25 31.27 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.477 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 7' ' ' GLY . 10.3 t -157.99 117.48 3.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.8 p -53.2 85.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 5' ' ' SER . . . -92.08 -152.9 29.28 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.416 ' O ' HG23 ' A' ' 8' ' ' VAL . 34.5 m -124.98 47.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.882 0.372 . . . . 0.0 111.11 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.447 ' HD3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -129.3 76.78 78.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.585 0.707 . . . . 0.0 110.92 179.863 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.494 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 54.1 Cg_endo -69.74 -11.86 31.75 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.644 2.229 . . . . 0.0 112.388 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.531 ' CE1' ' HB3' ' A' ' 23' ' ' LYS . 8.5 m-85 -115.65 94.05 4.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -119.87 114.38 2.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.519 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.7 t -57.26 138.77 54.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.348 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 m -98.19 -30.3 12.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.448 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 19.1 mm-40 -50.89 -57.99 7.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.0 p -101.88 -45.17 5.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.33 43.32 0.71 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.513 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -108.4 161.97 14.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.788 0.328 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.21 152.92 39.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.081 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.406 ' CE1' HD13 ' A' ' 26' ' ' LEU . 3.6 m-85 -144.96 113.95 6.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -44.4 -40.43 5.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t -110.95 143.59 41.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.531 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 24.2 pttm -57.92 -46.0 85.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.433 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 71.6 p -48.34 -49.97 32.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -48.84 -46.95 42.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.406 HD13 ' CE1' ' A' ' 20' ' ' PHE . 27.2 tp -58.77 -59.31 5.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 24' ' ' SER . 20.7 mt -45.57 -54.58 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 52.5 mt -48.71 -29.65 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 31' ' ' ARG . 12.2 t60 -84.96 -49.24 8.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 31' ' ' ARG . 30.4 mtp -35.3 -34.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 29' ' ' HIS . 67.6 mtm180 -34.92 -54.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.4 p -53.03 -53.59 47.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.448 ' CD2' ' HB2' ' A' ' 15' ' ' GLU . 68.2 m-70 -63.26 -61.06 2.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.813 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 82.3 p -38.14 156.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.161 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -44.38 115.3 1.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.529 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -123.51 161.61 24.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.944 0.402 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.1 pttm -38.31 144.0 0.4 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.563 0.697 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -50.8 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.358 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.9 p -88.59 108.29 19.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -101.99 -94.86 2.25 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -50.08 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.318 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.5 p -152.36 163.78 38.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 53.9 p -118.21 135.43 54.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.822 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.529 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -83.2 -49.11 9.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.851 0.358 . . . . 0.0 110.868 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -148.68 165.38 31.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.73 -120.82 0.55 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -118.41 -45.59 2.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.938 0.399 . . . . 0.0 110.883 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 m -72.36 145.56 47.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.67 46.39 0.18 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.556 ' O ' HG22 ' A' ' 8' ' ' VAL . 13.0 p -95.55 43.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.881 0.372 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -115.25 67.98 2.39 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.539 0.685 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -6.17 17.97 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.638 2.225 . . . . 0.0 112.342 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.767 ' HB3' HD22 ' A' ' 26' ' ' LEU . 93.9 m-85 -125.87 25.98 6.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -42.97 118.36 1.85 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.5 t -62.5 114.18 3.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.835 0.35 . . . . 0.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.6 m -92.44 44.75 1.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.816 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -131.35 -42.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 17' ' ' GLY . 22.2 p -126.82 -46.42 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.402 ' N ' ' SG ' ' A' ' 16' ' ' CYS . . . 129.16 68.33 0.12 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.512 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -125.61 179.64 5.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.757 0.313 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -139.45 152.32 46.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.095 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -153.8 137.05 15.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.48 19.89 14.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 m -167.45 144.69 4.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -54.13 -43.63 70.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.8 m -55.4 -63.82 1.04 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.836 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.768 ' HA ' HD12 ' A' ' 28' ' ' ILE . 2.9 m-85 -41.5 -42.0 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.945 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.767 HD22 ' HB3' ' A' ' 11' ' ' TYR . 54.0 tp -60.59 -55.56 31.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.3 mt -52.1 -37.57 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.768 HD12 ' HA ' ' A' ' 25' ' ' TYR . 62.0 mt -60.01 -22.26 23.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.652 ' O ' HG22 ' A' ' 32' ' ' THR . 68.0 t60 -101.68 -40.93 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 17.9 mtp -68.34 -23.46 64.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -49.31 -32.31 10.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 29' ' ' HIS . 14.1 t -90.63 -19.41 23.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -77.95 -40.09 40.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.597 HG23 ' O ' ' A' ' 34' ' ' THR . 9.0 t -134.04 105.31 6.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -166.5 -112.2 0.26 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -127.91 41.12 3.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.911 0.386 . . . . 0.0 110.916 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.456 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 15.8 ttmt -111.84 143.27 28.31 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.561 0.696 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' A' ' 37' ' ' LYS . 53.7 Cg_endo -69.7 86.3 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.366 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.9 m -85.89 -46.15 10.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.15 173.96 14.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.443 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -1.03 7.79 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.641 2.227 . . . . 0.0 112.335 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.3 m -67.97 105.94 2.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.1 p -159.05 120.62 3.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.496 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 t -75.65 103.58 5.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 110.842 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.0 p -60.62 113.14 2.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.3 59.58 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -125.64 121.81 34.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.827 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -136.2 129.38 31.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.97 -168.93 26.82 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.3 t -98.11 -21.21 5.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.877 0.37 . . . . 0.0 111.133 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.472 ' HE3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -54.4 147.99 26.03 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.529 0.68 . . . . 0.0 110.901 179.902 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -12.09 32.24 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.419 ' CE1' ' HB2' ' A' ' 23' ' ' LYS . 83.2 m-85 -118.58 22.41 12.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -60.66 115.38 7.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.4 t -53.78 112.6 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.851 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.5 m -93.74 45.41 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -131.4 -42.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.2 p -123.69 -44.0 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 129.53 54.76 0.1 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.444 ' HG3' ' CE1' ' A' ' 29' ' ' HIS . 8.2 mmmt -118.5 163.58 16.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.595 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -126.65 155.85 41.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 19' ' ' ALA . 8.7 m-85 -156.27 144.83 20.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -100.3 19.06 17.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.9 t -158.15 138.61 12.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 26' ' ' LEU . 26.1 ttpt -56.67 -71.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 23' ' ' LYS . 68.2 p -35.65 -40.12 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.454 ' HA ' HD12 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -57.26 -47.79 80.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 23' ' ' LYS . 60.1 tp -58.81 -52.77 64.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 24' ' ' SER . 54.1 mt -48.97 -48.11 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 25' ' ' TYR . 18.4 mt -59.15 -20.18 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.444 ' CE1' ' HG3' ' A' ' 18' ' ' LYS . 37.8 t60 -97.62 -23.05 16.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.829 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.403 ' C ' ' N ' ' A' ' 32' ' ' THR . 22.3 mtp -85.55 -54.77 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.6 -23.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.403 ' N ' ' C ' ' A' ' 30' ' ' MET . 70.0 p -78.74 -50.65 11.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 32' ' ' THR . 15.7 m-70 -37.91 -54.69 1.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.84 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.9 t -125.9 136.25 52.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.64 65.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.463 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -152.51 164.95 36.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.989 0.423 . . . . 0.0 110.833 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 mmtm -48.54 144.82 6.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 115.9 4.31 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.644 2.229 . . . . 0.0 112.37 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.3 m -124.01 161.22 25.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.86 147.36 40.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.455 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 175.51 8.05 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.346 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -129.96 -61.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.5 p -160.09 173.69 15.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.1 -0.833 . . . . 0.0 112.514 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -155.89 160.54 40.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.902 0.382 . . . . 0.0 110.814 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.2 p -43.15 -52.5 5.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.81 -161.82 26.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.461 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -132.77 94.42 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.917 0.389 . . . . 0.0 110.808 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.707 ' O ' HG23 ' A' ' 8' ' ' VAL . 64.8 p -98.16 86.83 3.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.828 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.66 49.08 2.44 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.462 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 6' ' ' SER . 87.5 t -116.49 127.66 74.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.898 0.38 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.47 150.43 48.82 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.603 0.716 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.517 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.4 Cg_endo -69.78 -6.25 18.16 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.727 2.285 . . . . 0.0 112.34 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.517 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 21.7 m-85 -133.71 87.06 2.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -116.41 118.78 4.3 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.51 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.1 t -61.04 111.48 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.844 0.354 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 t -92.65 44.6 1.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.484 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 5.4 mm-40 -130.85 -42.06 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.2 p -118.74 -44.1 2.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.17 55.89 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -132.91 169.69 16.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.769 0.319 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.496 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -135.89 174.88 10.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.508 ' CE1' ' CD1' ' A' ' 26' ' ' LEU . 2.4 m-85 -160.54 111.63 1.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -44.57 -40.55 5.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.7 t -112.28 148.61 33.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.23 -38.82 77.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.675 ' O ' HD12 ' A' ' 28' ' ' ILE . 22.8 t -54.66 -64.17 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.727 ' HA ' HD13 ' A' ' 28' ' ' ILE . 10.5 m-85 -35.89 -54.04 0.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.508 ' CD1' ' CE1' ' A' ' 20' ' ' PHE . 14.3 tp -45.28 -54.96 6.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.956 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.519 HD12 ' HA ' ' A' ' 24' ' ' SER . 45.3 mt -47.43 -63.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.813 ' H ' HD12 ' A' ' 28' ' ' ILE . 5.4 mp -37.26 -29.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.48 ' N ' ' O ' ' A' ' 27' ' ' ILE . 28.6 t60 -90.26 -54.62 3.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' ARG . 8.8 mmt -40.75 -27.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' MET . 58.6 mtm180 -36.54 -58.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.8 p -55.75 -50.24 70.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.484 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 68.4 m-70 -56.08 -63.41 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.8 p -55.07 -36.57 65.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.44 157.52 47.32 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 46.32 42.12 9.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.373 . . . . 0.0 110.892 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -143.34 139.78 16.92 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.62 0.724 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -50.91 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.6 m -80.01 170.97 15.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.834 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.91 177.82 18.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -9.03 25.1 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.7 2.267 . . . . 0.0 112.311 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.6 p -133.06 133.85 43.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.889 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.3 p -86.84 146.42 26.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.489 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m -77.09 168.52 19.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -158.74 145.81 17.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.76 -76.75 0.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 p -86.08 163.42 17.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 0.0 110.846 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 t -49.03 147.82 2.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.82 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.23 136.59 2.88 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.7 m -133.81 141.72 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.923 0.392 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -117.42 68.57 5.48 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.539 0.685 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.441 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 53.8 Cg_endo -69.78 -29.93 22.99 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.441 ' CE2' ' HG2' ' A' ' 10' ' ' PRO . 9.6 m-85 -89.72 115.39 27.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.04 121.7 2.06 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.4 t -57.97 118.2 5.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.819 0.342 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.7 t -95.02 43.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.45 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 5.0 mm-40 -132.99 -38.46 0.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.6 p -119.81 -47.27 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.37 48.72 0.2 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -119.96 176.65 5.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.798 0.332 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.551 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -137.53 166.54 23.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.551 ' CD1' ' C ' ' A' ' 19' ' ' ALA . 1.2 m-85 -155.95 113.3 3.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.7 tpt85 -47.96 -37.98 15.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t -109.14 147.94 31.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.45 ' HG2' HD11 ' A' ' 27' ' ' ILE . 31.3 tttp -60.02 -61.81 2.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.455 ' HA ' HD13 ' A' ' 27' ' ' ILE . 41.1 t -39.9 -44.96 1.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.51 ' HA ' HD12 ' A' ' 28' ' ' ILE . 7.3 m-85 -51.96 -45.33 64.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.907 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.8 tp -57.03 -58.68 7.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.804 ' H ' HD12 ' A' ' 27' ' ' ILE . 5.1 mp -47.85 -61.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 25' ' ' TYR . 18.6 mt -38.5 -36.81 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -77.55 -49.71 14.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 81.9 mmm -42.86 -25.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -46.87 -37.44 8.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.7 t -67.69 -31.97 72.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.45 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 92.2 m-70 -84.52 21.88 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.833 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 76.8 p -136.29 133.5 37.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.72 -118.06 5.37 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.454 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -67.28 148.23 51.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.96 0.409 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.478 ' CD ' ' HD2' ' A' ' 38' ' ' PRO . 12.8 tptm -88.53 138.96 29.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.494 0.664 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.478 ' HD2' ' CD ' ' A' ' 37' ' ' LYS . 53.6 Cg_endo -69.77 164.04 36.02 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.683 2.255 . . . . 0.0 112.318 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.3 m -121.06 109.75 15.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.61 -65.45 0.59 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 113.45 3.38 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.709 2.273 . . . . 0.0 112.293 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.3 t -163.5 141.12 7.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.837 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.6 m -56.51 119.95 6.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.19 -0.783 . . . . 0.0 112.472 -179.911 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -146.81 157.01 43.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.898 0.38 . . . . 0.0 110.821 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.4 m -61.01 128.48 36.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.48 63.46 4.34 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.7 p -121.62 126.93 50.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.38 . . . . 0.0 110.838 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 m -85.0 86.65 7.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.818 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.06 136.94 23.27 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.501 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.623 ' O ' HG13 ' A' ' 8' ' ' VAL . 10.2 p -102.42 52.14 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.91 0.386 . . . . 0.0 111.108 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.474 ' N ' ' HD2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -129.06 143.59 49.36 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.557 0.694 . . . . 0.0 110.926 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.418 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 54.0 Cg_endo -69.76 -22.6 31.83 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.386 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.418 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 39.0 m-85 -123.96 151.95 43.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.3 131.77 2.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.3 t -79.05 130.35 35.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.0 t -106.42 41.21 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -130.98 -45.66 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.4 p -115.82 -48.82 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.56 69.95 0.21 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.526 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -146.34 168.25 21.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.743 0.306 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.59 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -133.78 171.0 14.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.59 ' CD1' ' C ' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -149.9 129.71 13.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -63.8 -28.99 70.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.7 m -112.18 174.18 6.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.818 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.5 tttp -85.82 -66.19 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.6 t -41.03 -41.71 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.424 ' HA ' HD12 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -51.4 -55.77 16.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 -179.898 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.408 ' HA ' ' CD2' ' A' ' 20' ' ' PHE . 25.0 tp -46.28 -56.24 6.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.3 mt -48.1 -59.25 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.424 HD12 ' HA ' ' A' ' 25' ' ' TYR . 72.9 mt -40.03 -39.64 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.157 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -73.29 -51.41 17.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.433 ' O ' ' C ' ' A' ' 31' ' ' ARG . 82.1 mmm -44.28 -35.28 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 30' ' ' MET . 62.4 mtp180 -35.58 -61.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.4 p -40.65 -57.52 1.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -54.17 -58.49 7.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.711 HG23 ' O ' ' A' ' 34' ' ' THR . 12.8 t -79.83 101.03 8.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.166 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.15 49.1 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.541 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -70.39 159.08 34.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.985 0.421 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.488 ' CD ' ' HD2' ' A' ' 38' ' ' PRO . 34.4 tptt -66.48 136.54 94.99 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.594 0.711 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.488 ' HD2' ' CD ' ' A' ' 37' ' ' LYS . 54.3 Cg_endo -69.74 -43.88 2.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.724 2.283 . . . . 0.0 112.312 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.8 p -137.9 119.42 14.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.4 73.19 0.26 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 123.77 10.43 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.676 2.25 . . . . 0.0 112.354 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.6 m -149.9 127.06 11.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.7 p -130.72 155.46 46.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.816 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.121 -0.821 . . . . 0.0 112.5 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 m -73.65 112.7 9.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.916 0.389 . . . . 0.0 110.856 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -100.39 42.71 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.93 -134.67 16.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.475 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -110.3 83.39 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 110.853 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.5 t -84.53 154.05 22.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.46 63.18 0.37 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.654 HG23 ' HG3' ' A' ' 9' ' ' LYS . 27.7 m -98.43 -22.41 4.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.898 0.38 . . . . 0.0 111.161 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.654 ' HG3' HG23 ' A' ' 8' ' ' VAL . 54.6 mttt -111.36 81.03 2.81 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.624 0.726 . . . . 0.0 110.907 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.464 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.2 Cg_endo -69.79 -16.87 37.64 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.659 2.239 . . . . 0.0 112.333 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.464 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 55.0 m-85 -117.92 157.56 26.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.68 131.36 1.71 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.6 t -81.0 118.27 22.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.3 t -80.2 -37.0 34.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -40.55 -60.16 1.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.6 p -102.91 -44.01 5.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.69 63.52 0.31 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.66 165.98 16.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.64 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -125.43 159.75 31.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.64 ' CD1' ' C ' ' A' ' 19' ' ' ALA . 12.8 m-85 -155.9 123.92 5.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.869 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.9 ttp-105 -84.27 34.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.2 t -172.4 130.55 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -48.85 -64.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.936 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.877 ' HA ' HD12 ' A' ' 27' ' ' ILE . 50.6 m -45.57 -59.35 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.468 ' HA ' HD12 ' A' ' 28' ' ' ILE . 2.3 t80 -37.26 -44.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.93 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.3 tp -62.61 -53.89 47.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.877 HD12 ' HA ' ' A' ' 24' ' ' SER . 21.9 mt -45.03 -36.72 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.13 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 25' ' ' TYR . 74.5 mt -62.48 -35.01 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.134 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.514 ' O ' HG22 ' A' ' 32' ' ' THR . 72.1 t60 -90.89 -24.75 20.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 71.0 mmm -83.73 -22.45 31.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.28 -31.56 38.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 29' ' ' HIS . 13.3 t -72.41 -29.75 64.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.124 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -60.15 -56.93 15.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.6 t -125.73 145.58 50.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.077 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 36' ' ' GLU . . . 174.5 42.63 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.493 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 35' ' ' GLY . 17.1 pt-20 35.48 35.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.92 0.39 . . . . 0.0 110.902 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 35' ' ' GLY . 4.5 ptmt -57.81 143.96 75.39 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.581 0.705 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 112.17 3.0 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.718 2.279 . . . . 0.0 112.327 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.6 p -103.51 132.9 49.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.99 -67.74 0.3 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 42' ' ' SER . 54.0 Cg_endo -69.76 2.68 3.31 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.654 2.236 . . . . 0.0 112.353 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 41' ' ' PRO . 1.1 t -34.55 134.42 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.1 m -84.6 152.94 23.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.457 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.6 p -56.75 -48.37 77.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.909 0.385 . . . . 0.0 110.836 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.1 p -156.3 170.72 21.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.91 150.42 21.58 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.457 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.6 p -128.11 138.25 52.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.86 0.362 . . . . 0.0 110.862 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.8 m -99.36 163.85 12.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -133.9 125.12 3.81 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.529 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.795 HG12 ' HD3' ' A' ' 10' ' ' PRO . 94.0 t -34.59 118.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.935 0.398 . . . . 0.0 111.105 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.0 78.83 16.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.555 0.693 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.795 ' HD3' HG12 ' A' ' 8' ' ' VAL . 53.8 Cg_endo -69.7 -18.31 37.36 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.265 . . . . 0.0 112.336 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.498 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 28.0 m-85 -120.72 120.93 37.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -146.61 117.75 0.97 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.3 t -70.51 116.76 11.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.826 0.346 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 15' ' ' GLU . 66.9 p -76.25 -38.55 56.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 14' ' ' SER . 76.0 mm-40 -37.0 -61.77 0.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.6 p -101.69 -41.17 6.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 111.56 59.65 0.46 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -125.09 174.59 7.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.09 164.22 30.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.138 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -154.46 116.32 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.408 ' HD3' ' C ' ' A' ' 21' ' ' ARG . 0.6 OUTLIER -46.55 -35.56 5.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 m -110.66 177.13 4.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -85.15 -57.0 3.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.6 p -39.48 -48.49 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -51.55 -42.28 61.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.448 HD22 ' HB3' ' A' ' 11' ' ' TYR . 60.5 tp -59.91 -55.77 29.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 30' ' ' MET . 55.9 mt -50.56 -63.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.4 mt -41.45 -31.41 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.145 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -86.42 -32.37 20.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.476 ' N ' ' O ' ' A' ' 27' ' ' ILE . 25.0 mtp -84.94 16.61 3.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -88.38 -37.9 15.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.8 t -77.8 -27.81 50.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -58.07 -53.19 61.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.4 p -102.6 90.4 3.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.4 124.67 4.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.455 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' A' ' 37' ' ' LYS . 11.6 pt-20 -95.08 104.52 16.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.945 0.402 . . . . 0.0 110.825 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.501 ' O ' ' CD ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 30.58 54.39 0.69 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.564 0.697 . . . . 0.0 110.908 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 53.8 Cg_endo -69.75 96.41 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.718 2.278 . . . . 0.0 112.331 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.3 p -69.7 82.65 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.21 146.27 6.08 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -2.46 10.23 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.626 2.218 . . . . 0.0 112.367 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.9 m -129.26 171.92 11.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.8 t 65.69 43.64 3.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.452 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 3' ' ' SER . 30.3 p -60.62 -43.75 97.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.358 . . . . 0.0 110.845 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 2' ' ' SER . 42.7 p 37.82 41.92 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.82 -120.28 0.52 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -134.33 129.55 35.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.381 . . . . 0.0 110.839 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.6 p -83.53 80.29 9.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.91 109.05 0.56 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 88.7 t -64.71 101.28 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 111.151 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -106.25 87.88 2.84 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.598 0.713 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -29.89 23.16 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.329 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.503 ' CE1' ' HB2' ' A' ' 23' ' ' LYS . 10.1 m-85 -95.37 95.61 8.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.42 105.97 0.63 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.512 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.9 t -50.57 142.36 10.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 m -99.68 -36.67 9.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.2 mp0 -44.27 -57.44 3.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.1 p -102.63 -45.41 5.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.65 54.29 0.47 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -115.67 179.71 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.473 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -134.37 165.26 25.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.552 ' CD1' HD13 ' A' ' 26' ' ' LEU . 8.3 m-85 -157.04 106.97 2.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' PHE . 38.4 ptt180 -38.26 -38.68 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.7 p -117.86 155.78 29.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.503 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -64.55 -55.44 20.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.809 ' O ' HD12 ' A' ' 28' ' ' ILE . 47.6 m -36.97 -55.54 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -47.02 -39.88 13.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.552 HD13 ' CD1' ' A' ' 20' ' ' PHE . 52.3 tp -61.31 -48.5 81.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.577 HD13 ' HA ' ' A' ' 24' ' ' SER . 3.9 mp -52.92 -62.24 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.809 HD12 ' O ' ' A' ' 24' ' ' SER . 5.1 mp -51.78 -16.46 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.408 ' CG ' ' CZ ' ' A' ' 20' ' ' PHE . 10.7 t60 -97.53 -22.31 16.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 41.4 mtp -91.04 -29.08 17.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.471 ' NE ' ' HA ' ' A' ' 28' ' ' ILE . 14.6 ptp180 -58.16 -26.04 62.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.1 t -86.18 -33.02 20.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -56.94 -56.69 18.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.7 p -53.06 -41.63 65.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.76 159.21 25.65 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -118.65 82.15 1.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.968 0.414 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -59.6 149.42 71.0 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.604 0.716 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -11.23 30.39 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.299 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.2 m -56.51 93.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.34 173.38 6.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -176.33 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.309 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.5 m -86.12 -60.09 2.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.6 m -107.41 -59.88 1.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.817 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.097 -0.835 . . . . 0.0 112.498 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 3' ' ' SER . 19.7 m -38.05 -62.37 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.38 . . . . 0.0 110.87 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 2' ' ' SER . 8.5 t -35.85 -55.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.43 89.61 1.85 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.456 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -68.31 85.47 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 110.9 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -106.04 97.46 7.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.44 57.06 0.27 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.497 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.475 HG23 ' CD ' ' A' ' 9' ' ' LYS . 27.3 m -114.06 -19.71 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.88 0.371 . . . . 0.0 111.093 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.475 ' CD ' HG23 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -130.2 141.93 43.63 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.561 0.696 . . . . 0.0 110.904 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.549 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.5 Cg_endo -69.77 -36.39 10.87 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.549 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 2.5 m-85 -123.64 131.94 53.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -152.35 117.98 0.85 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 52.2 t -71.14 123.63 22.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.5 t -87.12 -32.35 19.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.535 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 7.0 mm-40 -42.6 -58.72 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.8 p -101.51 -44.98 5.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.3 56.4 0.33 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -120.91 173.07 7.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -136.9 144.15 43.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.411 ' CE2' HD13 ' A' ' 26' ' ' LEU . 9.7 m-85 -134.56 117.85 16.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -49.03 -39.76 28.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 t -114.02 174.13 6.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.516 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 37.6 tttm -87.37 -48.41 8.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.605 ' HA ' HD12 ' A' ' 27' ' ' ILE . 76.0 p -47.91 -30.26 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -73.83 -43.35 59.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.411 HD13 ' CE2' ' A' ' 20' ' ' PHE . 21.2 tp -53.71 -52.17 60.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' A' ' 24' ' ' SER . 17.4 mt -44.91 -59.47 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 52.0 mt -40.88 -24.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.463 ' N ' ' O ' ' A' ' 27' ' ' ILE . 57.3 t60 -97.64 -51.02 4.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.831 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.533 ' HE3' ' HA ' ' A' ' 30' ' ' MET . 0.0 OUTLIER -41.38 -31.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -51.86 -44.0 63.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 t -62.87 -30.0 71.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.535 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 60.7 m-70 -88.86 80.06 7.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.6 p 48.24 51.93 14.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -113.65 -76.52 0.74 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -125.51 39.26 4.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.935 0.398 . . . . 0.0 110.926 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.456 ' CD ' ' HD2' ' A' ' 38' ' ' PRO . 0.8 OUTLIER -172.06 137.26 0.93 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.563 0.696 . . . . 0.0 110.938 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.456 ' HD2' ' CD ' ' A' ' 37' ' ' LYS . 53.9 Cg_endo -69.69 130.1 18.83 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.727 2.285 . . . . 0.0 112.352 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.9 m -51.89 178.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -146.11 -104.93 0.43 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.52 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 177.99 5.02 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.713 2.275 . . . . 0.0 112.333 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.6 p -106.88 177.85 4.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 44' ' ' GLY . 3.3 t -97.64 -45.23 6.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 43' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_