data_1wfl_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 1wfl _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 ' 27' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.895 0.379 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.3 t -47.88 151.2 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.62 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -101.3 2.01 39.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.459 ' CE ' ' HA ' ' A' ' 58' ' ' HIS . 1.6 tpp -115.2 -42.91 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.447 ' C ' ' HD3' ' A' ' 32' ' ' ARG . 32.1 p -110.45 -16.57 13.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.447 ' HD3' ' C ' ' A' ' 31' ' ' CYS . 0.8 OUTLIER 64.2 54.66 1.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.45 ' HG2' ' N ' ' A' ' 34' ' ' LYS . 6.6 ttmm -117.81 148.07 42.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.45 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -59.58 111.72 1.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 38' ' ' THR . 4.5 m -111.23 -31.69 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.178 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.84 -105.66 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 mt -76.15 -31.87 58.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.875 0.369 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 35' ' ' VAL . 80.7 p -82.68 33.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.4 165.33 37.17 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.455 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.57 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.5 t80 -139.06 118.95 13.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -91.47 113.4 25.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.825 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.2 t -85.36 166.37 16.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.419 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . 20.3 mmt180 -66.89 -31.34 71.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 31.1 p -67.25 -2.96 6.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.88 45.11 8.6 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.401 ' ND2' ' CE2' ' A' ' 29' ' ' PHE . 40.7 m-20 -133.5 170.64 15.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.855 0.359 . . . . 0.0 110.867 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.444 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 26.5 tp -114.8 137.53 51.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.71 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 60.5 m-85 -137.04 153.53 50.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 28.0 p -81.12 20.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.48 -31.26 2.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.7 mp -74.04 -20.83 60.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -118.14 -8.52 10.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.57 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 22.1 ptt85 -37.66 -50.8 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.484 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 47.8 m-85 -39.88 158.15 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 p -83.16 -29.18 28.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.56 19.04 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.821 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.484 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 31.5 mmtm -110.77 -42.14 4.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.71 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 7.0 p-80 -114.25 18.98 16.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 56.31 50.91 12.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 31.7 t -52.59 120.84 19.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.629 0.728 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.424 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.4 Cg_endo -69.74 -31.68 20.12 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.695 2.264 . . . . 0.0 112.338 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.424 ' O ' ' O ' ' A' ' 61' ' ' PRO . 0.2 OUTLIER -45.15 172.5 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.87 0.366 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.8 t -45.45 151.27 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.63 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -101.67 2.17 38.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.413 ' SD ' ' O ' ' A' ' 30' ' ' MET . 1.2 tpp -114.02 -45.88 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.8 p -109.3 -18.77 13.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? 65.73 55.02 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -118.49 133.3 55.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -45.21 109.62 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.3 m -103.48 -36.2 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 50.98 -112.86 1.85 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.416 HD11 ' N ' ' A' ' 37' ' ' LEU . 9.6 mp -75.77 -28.95 58.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.859 0.361 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.8 p -83.35 29.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.08 163.67 41.72 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.482 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.577 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.4 t80 -137.47 117.88 13.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.862 0.363 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -92.84 111.64 23.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.2 t -84.3 166.25 17.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -68.35 -31.67 71.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.3 p -63.98 -6.49 6.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.75 43.23 7.35 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -134.58 170.31 15.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.444 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 20.1 tp -115.04 140.23 49.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.7 ' CE2' ' CG ' ' A' ' 58' ' ' HIS . 60.1 m-85 -138.58 153.25 48.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.4 p -81.37 22.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.65 -30.98 2.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 mp -75.72 -21.0 57.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.812 0.339 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -116.07 -10.54 11.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.577 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 23.9 ptt180 -37.27 -50.45 1.0 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.495 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 53.6 m-85 -39.81 158.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.917 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.2 p -81.13 -32.24 33.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -92.88 21.46 5.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.495 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 31.2 mmtm -114.99 -36.97 4.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.7 ' CG ' ' CE2' ' A' ' 48' ' ' PHE . 5.6 p-80 -119.66 18.77 12.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 55.28 50.9 14.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.411 ' HB2' ' NE2' ' A' ' 58' ' ' HIS . 29.2 t -50.87 118.96 10.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.676 0.75 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.423 ' O ' ' O ' ' A' ' 62' ' ' TYR . 54.0 Cg_endo -69.7 -30.12 23.06 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.718 2.279 . . . . 0.0 112.347 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.423 ' O ' ' O ' ' A' ' 61' ' ' PRO . 0.2 OUTLIER -46.47 175.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.955 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.869 0.366 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.405 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 17.3 t -47.5 152.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.619 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -101.61 2.42 38.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.412 ' SD ' ' O ' ' A' ' 30' ' ' MET . 1.5 tpp -115.05 -44.49 3.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.5 p -109.7 -19.05 13.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.0 mmt-85 67.65 54.39 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.451 ' HG2' ' N ' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -115.99 148.1 40.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.451 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 0.6 OUTLIER -60.55 110.89 1.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.856 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.9 m -109.07 -32.9 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 46.48 -112.06 0.8 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.453 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.9 mt -74.45 -27.77 60.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.914 0.387 . . . . 0.0 110.954 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.6 p -84.94 33.13 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.57 166.87 40.14 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.577 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.4 t80 -139.46 116.25 10.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.827 0.346 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.85 113.17 24.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 22.7 t -84.82 166.14 17.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -66.46 -32.15 73.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 32.0 p -65.78 -4.81 7.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.64 44.11 8.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.415 ' ND2' ' CE2' ' A' ' 29' ' ' PHE . 46.8 m-20 -132.57 171.36 13.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.372 . . . . 0.0 110.862 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.433 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 24.7 tp -116.39 134.25 55.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.689 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 55.1 m-85 -133.62 154.32 50.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.4 p -81.58 22.81 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.845 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.5 -33.2 2.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.6 mp -73.24 -19.94 60.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.348 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 53' ' ' ARG . 46.1 m80 -117.55 -10.71 10.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.577 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 20.8 ptt85 -36.65 -50.58 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.477 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 40.0 m-85 -41.63 155.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.2 p -80.69 -29.91 36.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -93.07 19.21 8.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.477 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 56.1 mmtt -112.5 -39.67 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.689 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.3 p-80 -116.66 18.15 15.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.803 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 56.22 51.7 11.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.402 ' HB2' ' NE2' ' A' ' 58' ' ' HIS . 29.8 t -53.23 120.76 21.8 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.605 0.717 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.7 Cg_endo -69.77 -30.84 21.59 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.712 2.275 . . . . 0.0 112.33 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.422 ' O ' ' O ' ' A' ' 61' ' ' PRO . 0.1 OUTLIER -45.3 172.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.865 0.364 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 17.5 t -46.17 150.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.623 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.34 3.15 43.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.1 tpp -115.21 -46.74 2.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.0 p -107.1 -17.7 14.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? 66.52 53.89 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -113.83 151.38 32.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.446 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 11.4 tppt? -65.81 107.07 1.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.3 m -103.06 -35.52 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.123 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.6 -105.2 0.1 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.409 ' N ' HD21 ' A' ' 37' ' ' LEU . 3.8 mm? -79.16 -34.0 43.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.856 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.4 p -81.94 36.62 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -88.12 165.27 34.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.579 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.2 t80 -137.51 121.42 17.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.916 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -95.04 113.56 25.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.5 t -84.99 166.33 16.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -67.82 -33.36 74.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.8 p -62.83 -7.7 5.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.64 43.08 7.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.45 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -133.11 172.46 12.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.434 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 23.0 tp -115.33 140.0 49.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.689 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 61.4 m-85 -138.89 153.75 48.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.5 p -82.15 22.96 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.26 -33.21 2.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.1 mp -73.27 -18.86 61.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.33 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -118.74 -10.12 10.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.816 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.579 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 23.3 ptt180 -37.1 -51.41 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.483 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 42.2 m-85 -39.96 154.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 p -81.45 -27.28 34.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.888 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -95.57 18.07 13.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 48.2 mmtt -110.62 -43.53 3.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.689 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 7.2 p-80 -111.67 18.84 18.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 56.08 51.3 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 32.2 t -53.22 120.5 20.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.598 0.713 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.419 ' O ' ' O ' ' A' ' 62' ' ' TYR . 54.2 Cg_endo -69.74 -30.65 22.02 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.384 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.419 ' O ' ' O ' ' A' ' 61' ' ' PRO . 0.2 OUTLIER -44.96 171.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.2 mtt-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.81 0.338 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 19.6 t -48.38 149.94 1.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.637 ' O ' ' CG ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -98.75 4.56 47.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.1 tpp -117.82 -47.63 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.7 p -106.65 -17.98 14.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 14.2 mmt180 67.0 54.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.6 tttt -113.76 144.3 43.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -60.07 108.2 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.6 m -102.12 -39.81 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.41 -100.77 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.529 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -85.07 -31.87 23.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.875 0.369 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.0 p -83.32 36.05 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.17 157.44 30.6 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.579 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 0.8 OUTLIER -129.72 119.82 24.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.903 0.383 . . . . 0.0 110.886 -179.897 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -93.3 111.09 22.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.436 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 21.1 t -82.03 167.73 18.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -70.32 -29.28 65.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 31.3 p -68.44 -0.77 5.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.83 46.08 9.94 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -135.13 170.89 15.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.444 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 27.7 tp -114.63 137.33 52.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.691 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 67.0 m-85 -135.65 154.41 51.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.502 ' SG ' ' CD1' ' A' ' 51' ' ' LEU . 30.2 p -84.09 23.16 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.63 -29.19 2.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.502 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 4.9 mt -73.32 -24.64 60.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 53' ' ' ARG . 65.8 m80 -117.74 -5.68 11.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.579 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 28.7 ptt85 -37.46 -49.03 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.486 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 43.7 m-85 -44.2 152.7 0.17 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.401 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 7.1 p -78.6 -31.13 46.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -91.15 19.41 5.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.486 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 54.5 mmtt -112.8 -41.57 3.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.691 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 7.0 p-80 -113.15 18.92 17.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 56.46 50.37 13.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.419 ' HB2' ' NE2' ' A' ' 58' ' ' HIS . 32.7 t -53.71 120.89 24.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.655 0.74 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -32.43 18.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.724 2.283 . . . . 0.0 112.336 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.21 168.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.913 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.3 mtt180 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.887 0.375 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.7 t -50.56 152.48 1.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.598 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -101.34 1.18 38.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.401 ' SD ' ' O ' ' A' ' 30' ' ' MET . 1.3 tpp -114.88 -46.62 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.6 p -106.47 -17.94 14.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? 64.14 54.6 1.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.472 ' HG2' ' N ' ' A' ' 34' ' ' LYS . 7.8 ttpp -117.59 146.45 43.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.472 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -53.86 118.76 4.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.824 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 36' ' ' GLY . 3.0 m -116.16 -41.55 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.438 ' N ' ' CG2' ' A' ' 35' ' ' VAL . . . 63.14 -113.0 5.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.544 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.449 HD11 ' N ' ' A' ' 37' ' ' LEU . 11.1 mp -84.48 -32.44 23.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.939 0.399 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.8 p -67.76 -3.25 8.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -51.59 166.82 0.77 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.572 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.4 t80 -134.99 117.78 16.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.358 . . . . 0.0 110.886 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.73 108.14 19.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.2 t -82.13 166.4 19.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -67.99 -33.19 74.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.419 ' HA ' ' CD1' ' A' ' 62' ' ' TYR . 31.4 p -63.73 -6.84 6.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.93 43.93 6.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 -133.03 167.11 20.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 29' ' ' PHE . 19.8 tp -115.29 131.7 56.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.727 ' CE2' ' CG ' ' A' ' 58' ' ' HIS . 45.1 m-85 -130.98 155.32 47.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.7 p -80.79 19.76 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.94 -30.48 3.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.456 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.2 mp -75.9 -21.11 57.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 53' ' ' ARG . 48.2 m80 -115.09 -11.37 12.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.572 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 24.0 ptt180 -36.38 -49.38 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.515 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 46.5 m-85 -41.66 156.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.2 p -78.24 -38.22 43.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.85 19.99 2.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.515 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 19.5 mmtp -113.25 -42.21 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.727 ' CG ' ' CE2' ' A' ' 48' ' ' PHE . 5.8 p-80 -115.31 18.63 16.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.809 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 55.5 51.5 12.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.42 ' HB2' ' NE2' ' A' ' 58' ' ' HIS . 32.2 t -52.41 118.55 12.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.607 0.718 . . . . 0.0 110.852 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.1 Cg_endo -69.82 -28.89 24.41 Favored 'Trans proline' 0 C--O 1.231 0.131 0 C-N-CA 122.69 2.26 . . . . 0.0 112.311 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.419 ' CD1' ' HA ' ' A' ' 44' ' ' CYS . 0.1 OUTLIER -46.83 175.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.891 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.3 mtt180 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.864 0.364 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 17.7 t -45.41 148.88 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.63 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -99.53 2.47 44.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -114.02 -45.89 3.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.1 p -108.24 -20.46 13.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.421 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 12.2 mmm180 68.4 53.34 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -118.44 137.79 52.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.91 118.49 2.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.8 m -114.06 -38.1 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.36 -108.45 0.31 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.548 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.52 -36.21 65.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.908 0.385 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.8 p -81.7 36.61 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -91.06 157.48 25.08 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.596 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.2 t80 -129.67 126.98 39.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.359 . . . . 0.0 110.884 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -100.0 112.14 24.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.818 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.403 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 22.8 t -82.98 167.4 17.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 60.3 mmt-85 -70.53 -33.16 70.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.804 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.0 p -63.41 -6.79 5.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.25 43.97 6.82 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -133.55 169.76 16.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.437 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 52.7 tp -112.46 141.11 46.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.691 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 63.8 m-85 -141.13 152.45 44.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.4 p -82.08 23.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.0 -32.74 2.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.467 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.9 mp -73.23 -21.07 60.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.85 0.357 . . . . 0.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -117.69 -8.81 10.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.596 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 22.6 ptt180 -37.86 -50.05 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.476 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 51.4 m-85 -40.82 155.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.5 p -80.59 -30.39 36.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.836 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -93.45 20.0 7.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.476 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 33.0 mmtm -113.08 -38.5 4.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.691 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.9 p-80 -117.35 18.69 14.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 55.99 52.13 11.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 31.9 t -53.83 120.51 23.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.649 0.737 . . . . 0.0 110.832 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' A' ' 62' ' ' TYR . 54.2 Cg_endo -69.76 -28.36 25.33 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.636 2.224 . . . . 0.0 112.392 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.428 ' O ' ' O ' ' A' ' 61' ' ' PRO . 0.2 OUTLIER -46.03 174.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.5 mtt-85 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.855 0.36 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 20.2 t -49.21 148.68 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.643 ' O ' ' CG ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -97.2 5.21 50.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.6 tpp -119.57 -46.8 2.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.401 ' HB3' ' CE1' ' A' ' 52' ' ' HIS . 31.8 p -106.66 -17.05 14.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.424 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 0.6 OUTLIER 65.35 54.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.853 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -112.9 143.14 44.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.39 106.45 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.4 HG11 ' CB ' ' A' ' 49' ' ' CYS . 14.3 m -100.12 -39.16 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.069 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.27 -99.96 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -87.21 -29.86 21.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.904 0.383 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 79.1 p -83.22 32.68 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.0 156.99 38.7 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.52 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.578 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -131.38 121.57 24.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.915 -179.886 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -94.23 115.59 27.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.806 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.455 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 19.8 t -86.07 168.16 14.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 62.9 mmt-85 -68.85 -28.91 67.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.1 p -69.24 -0.82 6.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.2 45.48 11.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.523 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -134.28 173.07 12.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.827 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.438 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 33.4 tp -114.73 140.22 49.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.943 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.689 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 70.5 m-85 -138.31 154.73 49.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.4 ' CB ' HG11 ' A' ' 35' ' ' VAL . 31.3 p -84.41 24.26 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.58 -31.42 2.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.2 mt -71.69 -24.12 61.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.89 0.376 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.401 ' CE1' ' HB3' ' A' ' 31' ' ' CYS . 68.1 m80 -119.45 -2.9 10.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.578 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 28.5 ptt180 -38.58 -43.87 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.477 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 46.0 m-85 -48.07 178.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.8 p -96.65 -56.71 2.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -65.72 -3.9 5.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.477 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 28.0 mmtt -84.11 -45.12 13.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.689 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.3 p-80 -114.41 18.8 16.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 55.42 52.52 11.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 33.2 t -53.81 121.76 30.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.662 0.744 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.9 Cg_endo -69.77 -34.33 14.76 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.379 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.406 ' O ' ' O ' ' A' ' 61' ' ' PRO . 0.1 OUTLIER -45.55 172.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.1 t0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.855 179.896 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.867 0.365 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 18.9 t -44.35 152.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.632 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -99.7 3.63 45.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.9 tpp -118.97 -46.14 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 32' ' ' ARG . 31.8 p -108.13 -15.21 14.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.422 ' HD3' ' C ' ' A' ' 31' ' ' CYS . 2.9 mpp_? 61.97 54.95 2.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.4 tttp -113.33 144.2 43.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -55.38 108.28 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.431 HG21 ' N ' ' A' ' 36' ' ' GLY . 10.4 m -100.59 -42.9 10.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.431 ' N ' HG21 ' A' ' 35' ' ' VAL . . . 68.13 -107.19 1.96 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tt -94.6 -34.49 12.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.94 0.4 . . . . 0.0 110.925 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.9 p -63.5 -4.3 2.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -41.36 159.88 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.439 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.582 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.2 t80 -133.39 113.78 12.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -87.74 115.54 25.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.7 t -87.66 166.69 14.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -64.63 -33.11 75.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.8 p -65.94 -4.36 6.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.1 45.46 8.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.458 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.404 ' ND2' ' CE2' ' A' ' 29' ' ' PHE . 42.6 m-20 -131.83 171.21 13.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.426 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 20.1 tp -115.86 131.81 56.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.716 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 66.7 m-85 -130.22 154.77 47.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.92 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.425 ' SG ' ' CD1' ' A' ' 51' ' ' LEU . 30.8 p -83.69 23.7 0.95 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.67 -29.9 2.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.449 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.425 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 5.4 mt -73.11 -23.77 60.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' ARG . 67.0 m80 -118.29 -6.77 10.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.582 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 24.4 ptt180 -36.39 -48.56 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.481 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 37.5 m-85 -43.97 156.24 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.8 p -81.23 -31.32 33.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -92.11 19.56 6.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.481 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 57.5 mmtt -112.5 -38.82 4.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.716 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.7 p-80 -115.62 18.5 15.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 56.29 50.44 13.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 30.6 t -51.6 120.07 14.69 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.622 0.725 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -31.03 21.14 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.322 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -44.99 168.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.9 mtt180 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.837 0.351 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.6 t -50.49 150.53 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.622 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.65 1.82 40.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.472 ' CE ' ' HA ' ' A' ' 58' ' ' HIS . 0.5 OUTLIER -114.86 -43.57 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.5 p -108.8 -19.81 13.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.9 mmm-85 68.26 54.79 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.3 tttt -117.6 149.14 41.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -62.52 107.13 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.442 ' CG2' ' N ' ' A' ' 36' ' ' GLY . 11.2 m -94.22 -44.47 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.442 ' N ' ' CG2' ' A' ' 35' ' ' VAL . . . 67.76 -103.65 1.01 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.54 -34.53 12.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.924 0.393 . . . . 0.0 110.897 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.3 p -67.85 -0.41 4.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.179 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -49.56 166.45 0.34 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.579 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.0 OUTLIER -142.49 121.76 13.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.866 -179.898 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.31 114.57 26.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.4 t -85.63 166.38 16.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.433 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . 25.9 mmt-85 -65.79 -33.82 76.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.2 p -65.45 -5.23 7.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.08 44.43 7.61 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.433 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -131.66 167.96 18.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.868 0.366 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.442 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 24.0 tp -113.89 135.4 54.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.685 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 51.5 m-85 -135.98 155.81 49.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.5 p -80.08 21.73 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' A' ' 48' ' ' PHE . . . 81.32 -34.53 2.44 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.4 mp -73.65 -18.03 61.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 54' ' ' TYR . 43.1 m80 -116.82 -13.59 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.579 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 14.9 ptt180 -39.76 -27.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.569 ' CD1' ' N ' ' A' ' 54' ' ' TYR . 0.9 OUTLIER -59.01 152.92 18.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.814 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.5 p -76.68 -34.26 58.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -89.58 15.48 9.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.834 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.559 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 38.1 mmtt -107.29 -50.46 3.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.685 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.9 p-80 -107.32 18.82 21.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 55.8 48.17 18.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.43 ' HB2' ' NE2' ' A' ' 58' ' ' HIS . 34.1 t -48.73 118.92 7.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.628 0.728 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -33.58 16.42 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.737 2.291 . . . . 0.0 112.371 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -44.42 168.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.906 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.7 t0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 179.918 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.2 mtt85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.898 0.38 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 19.6 t -43.68 149.83 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.629 ' O ' ' CG ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -99.2 4.23 46.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.838 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.3 tpp -116.39 -46.7 2.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.0 p -108.27 -19.12 13.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 16.0 mmm180 68.64 54.9 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.1 ttpp -114.21 141.57 47.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.68 108.8 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.3 m -102.54 -39.42 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.151 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 51.55 -98.35 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.7 mt -86.26 -31.05 21.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.859 0.362 . . . . 0.0 110.927 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.5 p -83.62 32.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.43 157.58 36.66 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.461 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.58 ' CZ ' ' HD2' ' A' ' 53' ' ' ARG . 1.0 OUTLIER -132.14 120.29 22.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.834 0.35 . . . . 0.0 110.933 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -94.29 113.11 24.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.413 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 23.0 t -84.64 166.99 16.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.1 mmp_? -68.11 -31.22 70.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.0 p -65.23 -5.37 6.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.99 44.09 7.85 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -133.97 172.24 13.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.439 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 28.5 tp -114.37 140.91 48.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.702 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 72.2 m-85 -138.66 153.31 48.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.481 ' SG ' ' CD1' ' A' ' 51' ' ' LEU . 31.3 p -83.88 23.16 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.89 -29.14 2.42 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.481 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 7.5 mt -73.32 -24.79 60.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.847 0.356 . . . . 0.0 110.944 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -118.67 -3.97 10.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.58 ' HD2' ' CZ ' ' A' ' 40' ' ' PHE . 32.5 ptt180 -38.79 -48.15 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.476 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 48.0 m-85 -44.25 156.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.0 p -81.32 -33.53 32.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.802 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -89.67 18.04 5.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.476 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 59.4 mmtt -110.6 -41.88 4.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.702 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.9 p-80 -112.73 19.13 17.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 56.15 51.28 12.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 32.8 t -53.73 120.6 23.75 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.646 0.736 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.415 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.7 Cg_endo -69.76 -30.92 21.48 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.415 ' O ' ' O ' ' A' ' 61' ' ' PRO . 0.1 OUTLIER -45.43 172.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.841 0.353 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 18.9 t -45.11 150.79 0.38 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.644 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -99.78 5.05 45.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.411 ' CE ' ' HA ' ' A' ' 58' ' ' HIS . 1.5 tpp -118.93 -44.43 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.433 ' HB3' ' CE1' ' A' ' 52' ' ' HIS . 31.2 p -110.5 -17.51 13.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 66.94 55.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -117.9 130.72 56.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -49.05 113.86 0.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.476 ' CG2' ' N ' ' A' ' 36' ' ' GLY . 3.6 m -104.58 -44.08 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.476 ' N ' ' CG2' ' A' ' 35' ' ' VAL . . . 69.13 -107.51 2.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tp -89.16 -35.51 16.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.9 0.381 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 24.3 p -69.1 1.09 3.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -51.7 166.1 0.93 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.458 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.585 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.2 t80 -136.56 114.1 10.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.886 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -88.7 113.95 24.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.417 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 23.3 t -84.57 167.53 16.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.844 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.436 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . 20.8 mmt180 -68.56 -29.98 68.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.3 p -68.33 -1.44 6.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.47 45.75 9.47 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.509 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -133.74 169.83 16.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.859 0.361 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.441 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 18.3 tp -113.92 136.57 52.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.693 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 69.0 m-85 -135.53 153.44 51.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.3 p -84.15 22.93 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.07 -28.31 2.59 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.51 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.5 mt -73.34 -25.72 60.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.821 0.343 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.433 ' CE1' ' HB3' ' A' ' 31' ' ' CYS . 65.2 m80 -118.7 -2.2 10.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.585 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 35.3 ptt85 -39.67 -47.91 2.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.484 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 40.9 m-85 -43.37 160.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.5 p -84.09 -33.48 24.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.818 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -90.37 18.32 6.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.484 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 24.3 mmtp -110.71 -39.75 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.693 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.8 p-80 -115.54 18.95 15.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 56.54 50.06 13.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.405 ' HB2' ' NE2' ' A' ' 58' ' ' HIS . 33.7 t -52.86 120.14 18.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.668 0.747 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.7 Cg_endo -69.74 -32.44 18.65 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.698 2.266 . . . . 0.0 112.33 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.436 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -44.37 169.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.849 179.922 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.5 t -45.08 152.3 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.639 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.99 2.15 40.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.41 ' SD ' ' O ' ' A' ' 30' ' ' MET . 1.6 tpp -117.04 -44.33 2.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.0 p -108.17 -16.79 14.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 63.12 54.94 2.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.0 tttt -119.95 133.57 55.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -47.32 119.81 2.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.9 m -112.85 -36.3 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.59 -109.13 0.83 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.447 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.475 ' N ' HD21 ' A' ' 37' ' ' LEU . 4.1 mm? -77.54 -30.66 52.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.874 0.368 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.6 p -82.75 32.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.73 151.75 25.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.531 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.576 ' CD1' ' HB2' ' A' ' 53' ' ' ARG . 0.6 OUTLIER -126.71 119.34 26.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 0.0 110.887 -179.848 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -95.15 116.98 29.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.8 t -89.26 165.57 14.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.41 ' NE ' ' HA ' ' A' ' 43' ' ' ARG . 11.3 mmp_? -64.91 -34.74 79.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.442 ' HA ' ' CD1' ' A' ' 62' ' ' TYR . 29.2 p -61.71 -8.58 4.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.44 42.09 7.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.455 ' ND2' ' CE2' ' A' ' 29' ' ' PHE . 34.4 m-20 -130.25 168.67 16.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.38 . . . . 0.0 110.87 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.447 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 42.0 tp -113.98 137.55 51.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.711 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 66.2 m-85 -135.32 152.78 51.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 29.0 p -83.54 26.24 0.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.401 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . 81.4 -38.31 2.44 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.473 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 mp -69.28 -18.92 63.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.838 0.352 . . . . 0.0 110.932 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -120.98 -4.83 9.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.576 ' HB2' ' CD1' ' A' ' 40' ' ' PHE . 28.3 ptt180 -39.02 -48.24 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.483 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 55.5 m-85 -45.11 172.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.454 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 0.7 OUTLIER -90.78 -49.86 6.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.887 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -73.57 4.94 4.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 29.6 mmtt -96.04 -31.45 13.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.711 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 5.5 p-80 -126.12 18.71 7.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 55.33 49.03 17.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.454 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 24.6 t -45.16 118.62 3.8 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.613 0.721 . . . . 0.0 110.925 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.8 Cg_endo -69.72 -25.84 28.37 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.375 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.442 ' CD1' ' HA ' ' A' ' 44' ' ' CYS . 0.2 OUTLIER -50.93 -173.92 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.8 mtt-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.896 0.379 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.41 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 18.9 t -48.65 150.42 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.637 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -98.49 4.4 48.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.6 tpp -118.87 -45.66 2.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 32' ' ' ARG . 28.9 p -106.35 -18.9 13.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 31' ' ' CYS . 29.0 mmm-85 68.25 47.17 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 34' ' ' LYS . 32.5 tttp -105.71 151.31 24.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.453 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -65.28 111.91 3.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.847 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.441 HG12 ' CB ' ' A' ' 49' ' ' CYS . 7.9 m -105.09 -40.91 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.156 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 50.74 -95.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.463 ' N ' HD21 ' A' ' 37' ' ' LEU . 4.3 mm? -89.76 -31.47 17.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.842 0.353 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.3 p -82.67 32.86 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.136 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.06 153.1 32.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.58 ' CZ ' ' HD2' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -127.6 119.76 26.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 110.887 -179.877 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -93.34 113.79 26.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.5 t -85.24 167.17 15.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.402 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . 47.8 mmt-85 -67.9 -31.21 70.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.7 p -67.31 -2.27 5.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.62 46.55 8.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.531 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -134.25 168.91 18.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 0.0 110.962 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.439 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 28.2 tp -113.94 134.97 54.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.715 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 65.8 m-85 -133.15 155.79 48.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.494 ' SG ' ' CD1' ' A' ' 51' ' ' LEU . 30.6 p -84.64 23.88 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.36 -28.72 2.3 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.494 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 5.0 mt -74.4 -24.91 59.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -117.32 -4.55 11.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.58 ' HD2' ' CZ ' ' A' ' 40' ' ' PHE . 23.5 ptt180 -39.09 -47.85 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.836 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.486 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 44.3 m-85 -44.79 156.11 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.3 p -80.8 -32.63 35.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -90.37 19.16 5.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.486 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 12.1 mmtp -111.98 -42.6 3.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.715 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.8 p-80 -112.34 18.43 18.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 56.73 50.28 12.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.413 ' HB2' ' NE2' ' A' ' 58' ' ' HIS . 32.2 t -53.0 120.75 20.5 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.603 0.716 . . . . 0.0 110.923 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -32.02 19.36 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.347 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.402 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -45.64 168.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.933 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.884 0.374 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.9 t -42.74 151.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.612 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -101.36 2.26 39.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.582 ' SD ' ' CD2' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -118.0 -38.09 3.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.862 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.5 p -113.8 -18.12 11.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 64.45 54.87 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -121.49 135.94 54.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -50.78 114.13 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.1 m -103.95 -35.65 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 54.23 -109.8 1.31 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.437 ' N ' HD21 ' A' ' 37' ' ' LEU . 4.5 mm? -79.22 -29.38 42.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.858 0.361 . . . . 0.0 110.919 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.6 p -83.37 31.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.54 156.62 33.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.592 ' CZ ' ' HD2' ' A' ' 53' ' ' ARG . 1.0 OUTLIER -131.2 120.55 23.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.892 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -95.93 112.27 24.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.3 t -84.2 167.22 16.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.442 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . 13.8 mmm-85 -68.84 -30.88 69.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 46' ' ' ASN . 24.9 p -68.23 -0.4 4.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.19 47.33 9.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.498 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.468 ' ND2' ' CE2' ' A' ' 29' ' ' PHE . 33.2 m-20 -134.44 167.1 21.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.458 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 38.5 tp -113.73 136.79 52.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.672 ' CE2' ' CG ' ' A' ' 58' ' ' HIS . 57.1 m-85 -136.61 151.46 49.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 28.1 p -80.62 19.13 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.24 -29.18 3.98 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 mp -75.87 -22.94 55.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.832 0.349 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.582 ' CD2' ' SD ' ' A' ' 30' ' ' MET . 54.7 m80 -117.98 -6.83 10.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.592 ' HD2' ' CZ ' ' A' ' 40' ' ' PHE . 19.6 ptt85 -39.57 -51.79 2.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.487 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 35.3 m-85 -38.52 155.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.401 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 66.0 p -79.34 -31.81 43.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -91.96 18.88 7.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.487 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 40.8 mmtm -114.98 -35.51 4.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.672 ' CG ' ' CE2' ' A' ' 48' ' ' PHE . 5.8 p-80 -119.08 17.01 13.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 55.94 54.24 8.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.439 ' HB2' ' NE2' ' A' ' 58' ' ' HIS . 32.9 t -56.15 117.63 17.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.657 0.741 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.6 Cg_endo -69.84 -33.02 17.12 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.667 2.245 . . . . 0.0 112.318 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.442 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -45.7 172.92 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.945 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.874 179.912 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.904 0.383 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.405 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 17.0 t -47.7 151.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.613 ' O ' ' CG ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.7 2.4 41.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -115.32 -47.23 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 32' ' ' ARG . 31.8 p -106.48 -18.04 14.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER 65.59 54.92 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.7 tttm -116.54 140.72 49.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -55.94 107.43 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.8 m -99.1 -38.09 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 54.6 -110.19 1.53 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.534 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.4 mt -79.58 -28.42 41.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.909 0.385 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 24.1 p -85.62 33.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.57 168.5 42.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.593 ' CZ ' ' HD2' ' A' ' 53' ' ' ARG . 1.1 t80 -141.46 124.72 16.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.872 0.368 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -98.58 114.38 26.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.402 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 23.2 t -85.34 166.75 16.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.496 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . 23.1 mmt180 -69.4 -28.71 66.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.3 p -69.27 -1.17 7.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.29 46.78 8.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.446 ' ND2' ' CE2' ' A' ' 29' ' ' PHE . 36.5 m-20 -137.06 168.34 19.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.876 0.369 . . . . 0.0 110.862 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.475 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 20.3 tp -112.33 140.59 46.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.685 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 64.7 m-85 -138.92 153.39 48.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 28.2 p -82.59 23.64 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.37 -32.34 2.33 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.3 mp -72.81 -22.9 60.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.457 ' O ' ' C ' ' A' ' 53' ' ' ARG . 51.2 m80 -115.82 -12.86 11.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.593 ' HD2' ' CZ ' ' A' ' 40' ' ' PHE . 21.7 ptt180 -33.97 -48.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.516 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 62.8 m-85 -45.74 150.07 0.56 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.422 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 16.7 p -74.46 -38.32 62.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -85.5 20.39 2.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.516 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 2.4 mmmp? -114.53 -37.94 4.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.685 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 7.1 p-80 -118.61 21.2 12.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 54.36 50.6 15.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.427 ' HB2' ' NE2' ' A' ' 58' ' ' HIS . 38.2 t -53.84 121.32 27.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.635 0.731 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -32.37 18.58 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.656 2.237 . . . . 0.0 112.347 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.496 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -44.32 167.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.949 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 179.932 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.842 0.353 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 17.5 t -47.29 152.67 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.623 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -101.0 2.91 41.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -117.13 -44.95 2.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.425 ' HB3' ' CE1' ' A' ' 52' ' ' HIS . 30.0 p -110.25 -15.77 13.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 1.6 mpt_? 63.86 54.9 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -113.26 141.59 46.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -56.38 108.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.481 HG22 ' N ' ' A' ' 36' ' ' GLY . 3.6 m -101.48 -26.7 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.481 ' N ' HG22 ' A' ' 35' ' ' VAL . . . 43.74 -92.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 35' ' ' VAL . 7.3 mp -98.06 -27.95 13.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.917 0.389 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 35' ' ' VAL . 58.1 p -82.31 36.53 0.47 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.1 164.04 40.16 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.585 ' CZ ' ' HD2' ' A' ' 53' ' ' ARG . 1.2 t80 -139.77 116.34 10.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -91.01 113.62 25.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.9 t -85.52 166.65 16.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -66.39 -33.28 75.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 31.5 p -64.38 -5.68 5.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.93 44.72 7.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.463 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -132.62 169.64 16.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 0.0 110.828 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.439 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 19.5 tp -113.44 135.48 53.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.721 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 71.9 m-85 -134.14 152.42 51.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 30.5 p -83.17 22.72 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.38 -28.62 2.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.7 mt -73.25 -25.27 60.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.425 ' CE1' ' HB3' ' A' ' 31' ' ' CYS . 64.6 m80 -118.68 -4.77 10.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.585 ' HD2' ' CZ ' ' A' ' 40' ' ' PHE . 27.7 ptt85 -37.72 -47.92 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.474 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 53.4 m-85 -43.29 160.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.6 p -83.73 -34.41 24.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.847 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -90.01 18.69 5.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.474 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 47.1 mmtt -110.54 -39.62 4.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.721 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.7 p-80 -116.2 18.63 15.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 56.64 50.67 12.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 31.9 t -52.95 119.08 15.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.614 0.721 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' A' ' 62' ' ' TYR . 54.3 Cg_endo -69.77 -30.81 21.66 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.661 2.241 . . . . 0.0 112.386 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.426 ' O ' ' O ' ' A' ' 61' ' ' PRO . 0.2 OUTLIER -44.76 171.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.861 0.363 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.7 t -49.55 151.89 1.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.632 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.58 4.09 43.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.623 ' SD ' ' CD2' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -119.73 -40.6 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.471 ' HB3' ' CE1' ' A' ' 52' ' ' HIS . 31.7 p -112.65 -16.89 12.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 64.07 54.49 1.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.8 tttt -115.5 139.82 49.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -55.11 111.03 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.463 ' CG2' ' N ' ' A' ' 36' ' ' GLY . 3.5 m -104.18 -43.24 8.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.463 ' N ' ' CG2' ' A' ' 35' ' ' VAL . . . 55.78 -101.44 0.13 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.485 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.1 mt -84.64 -30.67 24.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.906 0.384 . . . . 0.0 110.898 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.1 p -84.08 32.3 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.51 159.06 38.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.595 ' CZ ' ' HD2' ' A' ' 53' ' ' ARG . 1.1 t80 -132.6 110.7 10.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.868 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 41' ' ' ASP . 3.3 p30 -89.22 113.66 24.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.3 t -86.55 166.19 15.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -66.14 -33.33 75.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 28.6 p -61.94 -8.47 5.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.64 42.7 7.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -131.84 169.19 16.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.886 0.374 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.432 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 18.4 tp -114.82 135.25 54.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.659 ' CE2' ' CG ' ' A' ' 58' ' ' HIS . 67.1 m-85 -133.54 151.61 51.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.495 ' SG ' ' CD1' ' A' ' 51' ' ' LEU . 31.4 p -82.99 21.44 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.05 -28.05 2.97 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.495 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 5.9 mt -74.17 -25.09 59.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.811 0.339 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.623 ' CD2' ' SD ' ' A' ' 30' ' ' MET . 67.7 m80 -119.23 -3.94 10.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.595 ' HD2' ' CZ ' ' A' ' 40' ' ' PHE . 22.6 ptt180 -38.33 -49.0 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.489 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 33.6 m-85 -39.96 152.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.8 p -77.68 -29.5 51.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -94.7 20.0 9.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.489 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 39.2 mmtm -116.17 -30.13 6.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.659 ' CG ' ' CE2' ' A' ' 48' ' ' PHE . 4.8 p-80 -122.67 18.56 10.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 54.57 53.22 11.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.409 ' HB2' ' NE2' ' A' ' 58' ' ' HIS . 28.4 t -52.48 116.64 9.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.722 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.423 ' O ' ' O ' ' A' ' 62' ' ' TYR . 54.3 Cg_endo -69.68 -26.95 27.46 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.423 ' O ' ' O ' ' A' ' 61' ' ' PRO . 0.2 OUTLIER -47.48 178.18 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.3 mtt85 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.804 0.335 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.2 t -45.95 151.86 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.597 ' O ' ' CG ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.74 1.53 40.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.7 tpp -114.75 -46.97 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.6 p -106.85 -18.3 13.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? 64.86 54.91 1.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.8 tttm -117.32 139.37 50.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -52.54 109.46 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.9 m -101.64 -41.35 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.86 -106.96 1.55 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.13 -33.9 19.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.938 0.399 . . . . 0.0 110.966 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.9 p -68.39 0.11 4.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -52.63 163.32 1.98 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.46 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.575 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.4 t80 -138.11 117.97 13.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 110.869 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -92.23 111.02 22.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.0 t -84.38 166.95 16.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -68.42 -33.44 74.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.458 ' HA ' ' CD1' ' A' ' 62' ' ' TYR . 31.5 p -62.57 -7.83 5.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.87 43.04 6.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 -133.16 170.66 15.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.436 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 11.6 tp -117.24 135.48 53.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.718 ' CE2' ' CG ' ' A' ' 58' ' ' HIS . 48.8 m-85 -134.01 155.12 50.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.6 p -81.85 22.95 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.82 -33.47 2.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.8 mp -74.03 -19.45 60.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 53' ' ' ARG . 47.3 m80 -116.49 -12.28 11.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.575 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 21.3 ptt85 -35.58 -52.97 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.491 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 35.0 m-85 -38.83 156.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.2 p -79.85 -34.26 39.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -90.08 18.69 5.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.491 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 36.1 mmtm -112.22 -39.4 4.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.718 ' CG ' ' CE2' ' A' ' 48' ' ' PHE . 5.8 p-80 -116.87 18.2 14.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.838 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 55.65 50.97 13.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.427 ' HB2' ' NE2' ' A' ' 58' ' ' HIS . 32.6 t -51.37 119.24 12.37 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.43 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.9 Cg_endo -69.72 -27.16 27.02 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.654 2.236 . . . . 0.0 112.37 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.458 ' CD1' ' HA ' ' A' ' 44' ' ' CYS . 0.3 OUTLIER -47.61 178.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.799 0.333 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 18.5 t -51.5 150.7 3.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.63 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -99.12 3.67 46.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.413 ' SD ' ' O ' ' A' ' 30' ' ' MET . 1.4 tpp -118.66 -44.53 2.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.0 p -108.18 -17.42 14.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 0.9 OUTLIER 65.48 54.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -112.83 147.79 36.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.67 107.63 1.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.2 m -101.68 -39.52 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 50.15 -96.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.3 mt -88.28 -29.35 20.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.899 0.38 . . . . 0.0 110.925 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.7 p -85.07 33.47 0.54 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.62 157.13 35.76 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.533 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.578 ' CZ ' ' HD2' ' A' ' 53' ' ' ARG . 1.1 t80 -131.65 119.77 21.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.868 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.57 111.56 23.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.6 t -83.66 166.99 17.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.443 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . 7.3 mmm180 -67.2 -31.55 72.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 32.1 p -66.18 -4.63 7.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.84 45.36 7.77 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.496 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -134.41 169.92 16.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.449 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 20.1 tp -113.36 137.79 51.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.698 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 70.4 m-85 -135.87 153.94 51.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.497 ' SG ' ' CD1' ' A' ' 51' ' ' LEU . 30.1 p -83.5 24.59 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.18 -29.58 2.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.506 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.497 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 6.1 mt -72.91 -25.97 61.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.857 0.36 . . . . 0.0 110.94 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -117.46 -3.99 11.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.578 ' HD2' ' CZ ' ' A' ' 40' ' ' PHE . 33.6 ptt180 -38.3 -41.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.478 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 55.5 m-85 -48.98 -179.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.7 p -97.14 -55.56 2.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.821 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -0.55 4.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.478 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 29.8 mmtm -87.71 -45.98 9.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.698 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.2 p-80 -113.71 19.0 17.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 54.96 49.39 17.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.416 ' HB2' ' NE2' ' A' ' 58' ' ' HIS . 34.1 t -48.85 119.77 8.62 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.584 0.707 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.414 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.4 Cg_endo -69.82 -27.8 25.76 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.331 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.443 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -46.18 174.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.963 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.5 p -161.19 152.71 19.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 110.859 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 p -81.21 -37.44 28.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.34 88.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -122.78 109.45 14.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 0.0 110.852 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -148.48 164.21 34.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.853 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.545 ' HA2' ' C ' ' A' ' 8' ' ' PRO . . . -50.42 147.19 8.09 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.503 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.545 ' C ' ' HA2' ' A' ' 7' ' ' GLY . 54.0 Cg_endo -69.7 149.4 88.38 Favored 'Cis proline' 0 C--O 1.231 0.157 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.38 -0.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.2 p -80.53 -33.68 36.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.834 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.2 t -87.33 129.87 34.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.4 m -142.25 127.36 18.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -134.36 41.63 2.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.3 p -146.99 109.72 4.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.847 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -174.4 124.97 0.31 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -171.11 146.31 2.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -58.88 135.28 57.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.67 150.03 66.75 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.593 0.711 . . . . 0.0 111.078 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 19' ' ' GLU . 54.0 Cg_endo -69.78 135.45 30.44 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.669 2.246 . . . . 0.0 112.367 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 18' ' ' PRO . 59.9 mm-40 -37.69 156.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.553 ' CD2' ' C ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -48.25 152.77 1.42 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.559 0.695 . . . . 0.0 110.937 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 105.95 1.58 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.675 2.25 . . . . 0.0 112.32 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -50.15 155.94 1.52 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.574 0.702 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -15.88 37.42 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.9 -50.78 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.0 tptm 46.05 40.47 7.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 39.55 44.99 1.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -134.25 145.68 49.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.3 t -47.88 151.2 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.62 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -101.3 2.01 39.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.459 ' CE ' ' HA ' ' A' ' 58' ' ' HIS . 1.6 tpp -115.2 -42.91 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.447 ' C ' ' HD3' ' A' ' 32' ' ' ARG . 32.1 p -110.45 -16.57 13.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.447 ' HD3' ' C ' ' A' ' 31' ' ' CYS . 0.8 OUTLIER 64.2 54.66 1.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.45 ' HG2' ' N ' ' A' ' 34' ' ' LYS . 6.6 ttmm -117.81 148.07 42.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.45 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -59.58 111.72 1.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 38' ' ' THR . 4.5 m -111.23 -31.69 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.178 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.84 -105.66 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 mt -76.15 -31.87 58.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.875 0.369 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 35' ' ' VAL . 80.7 p -82.68 33.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.4 165.33 37.17 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.455 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.57 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.5 t80 -139.06 118.95 13.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -91.47 113.4 25.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.825 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.2 t -85.36 166.37 16.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.467 ' HG3' ' CD2' ' A' ' 64' ' ' TYR . 20.3 mmt180 -66.89 -31.34 71.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 31.1 p -67.25 -2.96 6.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.88 45.11 8.6 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.401 ' ND2' ' CE2' ' A' ' 29' ' ' PHE . 40.7 m-20 -133.5 170.64 15.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.855 0.359 . . . . 0.0 110.867 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.444 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 26.5 tp -114.8 137.53 51.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.71 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 60.5 m-85 -137.04 153.53 50.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 28.0 p -81.12 20.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.48 -31.26 2.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.7 mp -74.04 -20.83 60.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -118.14 -8.52 10.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.57 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 22.1 ptt85 -37.66 -50.8 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.484 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 47.8 m-85 -39.88 158.15 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 p -83.16 -29.18 28.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.56 19.04 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.821 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.484 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 31.5 mmtm -110.77 -42.14 4.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.71 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 7.0 p-80 -114.25 18.98 16.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 56.31 50.91 12.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 31.7 t -52.59 120.84 19.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.629 0.728 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.424 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.4 Cg_endo -69.74 -31.68 20.12 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.695 2.264 . . . . 0.0 112.338 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.429 ' CD2' ' HB3' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -45.15 172.5 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -133.86 -3.57 2.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.467 ' CD2' ' HG3' ' A' ' 43' ' ' ARG . 0.6 OUTLIER -33.2 -34.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 -179.829 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 63' ' ' ASP . 9.7 ptmt -58.94 -50.12 75.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . -102.48 35.9 2.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -113.51 -61.09 1.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -101.68 140.62 35.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.6 m 42.54 37.16 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -143.05 76.94 0.29 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.461 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -4.13 13.42 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.641 2.227 . . . . 0.0 112.362 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 77.3 p -42.89 105.85 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.2 m -44.17 127.11 5.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.458 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.3 p -174.03 144.79 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.865 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 t -174.51 170.25 3.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.56 69.73 0.27 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -137.86 133.1 33.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.866 0.365 . . . . 0.0 110.865 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 m -164.84 124.53 1.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.799 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.29 -160.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.459 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 178.82 24.23 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.331 0.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.5 p -138.64 120.28 15.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.2 t -167.44 108.31 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.9 m -126.65 69.59 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -137.58 116.6 12.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.2 t -161.29 111.15 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -171.01 123.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -119.56 94.03 4.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -92.52 144.72 25.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -168.33 152.88 6.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.701 . . . . 0.0 111.089 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 116.08 4.4 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 2.243 . . . . 0.0 112.303 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -146.91 151.5 37.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.9 mt -120.24 155.4 56.0 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.561 0.696 . . . . 0.0 110.955 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 107.16 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.668 2.246 . . . . 0.0 112.336 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -133.58 116.66 13.97 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.538 0.685 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -33.17 16.92 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.7 2.266 . . . . 0.0 112.298 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.411 ' NZ ' ' HB2' ' A' ' 29' ' ' PHE . 27.1 mmmt -149.13 154.29 38.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.44 ' C ' ' CG ' ' A' ' 26' ' ' ASN . 3.0 mmmm -106.18 38.95 1.9 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.44 ' CG ' ' C ' ' A' ' 25' ' ' LYS . 1.1 p-10 47.7 42.74 15.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -133.66 141.06 47.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.8 t -45.45 151.27 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.63 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -101.67 2.17 38.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.413 ' SD ' ' O ' ' A' ' 30' ' ' MET . 1.2 tpp -114.02 -45.88 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.8 p -109.3 -18.77 13.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? 65.73 55.02 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -118.49 133.3 55.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -45.21 109.62 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.3 m -103.48 -36.2 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 50.98 -112.86 1.85 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.416 HD11 ' N ' ' A' ' 37' ' ' LEU . 9.6 mp -75.77 -28.95 58.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.859 0.361 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.8 p -83.35 29.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.08 163.67 41.72 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.482 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.577 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.4 t80 -137.47 117.88 13.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.862 0.363 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -92.84 111.64 23.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.2 t -84.3 166.25 17.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.579 ' HG3' ' CD2' ' A' ' 64' ' ' TYR . 1.4 mmp_? -68.35 -31.67 71.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.3 p -63.98 -6.49 6.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.75 43.23 7.35 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -134.58 170.31 15.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.444 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 20.1 tp -115.04 140.23 49.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.7 ' CE2' ' CG ' ' A' ' 58' ' ' HIS . 60.1 m-85 -138.58 153.25 48.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.4 p -81.37 22.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.65 -30.98 2.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 mp -75.72 -21.0 57.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.812 0.339 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -116.07 -10.54 11.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.577 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 23.9 ptt180 -37.27 -50.45 1.0 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.495 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 53.6 m-85 -39.81 158.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.917 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.2 p -81.13 -32.24 33.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -92.88 21.46 5.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.495 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 31.2 mmtm -114.99 -36.97 4.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.7 ' CG ' ' CE2' ' A' ' 48' ' ' PHE . 5.6 p-80 -119.66 18.77 12.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 55.28 50.9 14.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.411 ' HB2' ' NE2' ' A' ' 58' ' ' HIS . 29.2 t -50.87 118.96 10.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.676 0.75 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.423 ' O ' ' O ' ' A' ' 62' ' ' TYR . 54.0 Cg_endo -69.7 -30.12 23.06 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.718 2.279 . . . . 0.0 112.347 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.429 ' HD2' ' CD1' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -46.47 175.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.955 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -129.29 -12.07 4.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.579 ' CD2' ' HG3' ' A' ' 43' ' ' ARG . 0.3 OUTLIER -36.28 -29.67 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.838 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' A' ' 63' ' ' ASP . 12.2 ptpt -47.9 -47.53 32.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.95 -46.9 6.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -43.47 -43.33 5.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.72 166.88 22.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 72.5 m -78.9 109.34 13.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 178.55 -140.99 4.78 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 139.12 39.47 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.709 2.273 . . . . 0.0 112.364 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 92.1 p -102.82 44.05 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.823 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.7 m -149.35 124.64 10.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.509 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 t -172.19 133.64 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.841 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t -167.3 171.6 10.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.71 145.2 4.13 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.462 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 p -171.44 105.61 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 0.0 110.818 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 p -160.13 134.35 7.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.843 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.85 -172.74 0.25 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 150.85 91.03 Favored 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.327 0.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.0 p -138.84 107.27 5.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.3 t -172.64 105.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.3 p -154.75 110.0 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.84 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -173.73 122.04 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 m -170.94 106.04 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -165.54 131.37 2.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -141.79 136.29 30.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.18 152.27 38.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -135.15 135.93 23.75 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.586 0.708 . . . . 0.0 111.076 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 111.24 2.76 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.725 2.283 . . . . 0.0 112.302 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -117.91 147.63 42.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.86 156.13 90.06 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.66 0.743 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 168.65 20.95 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.694 2.262 . . . . 0.0 112.36 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.08 152.96 37.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.59 0.709 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -9.84 27.11 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.392 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -132.7 68.62 1.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -54.26 -67.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -132.64 45.31 2.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -132.47 139.27 47.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.405 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 17.3 t -47.5 152.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.619 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -101.61 2.42 38.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.412 ' SD ' ' O ' ' A' ' 30' ' ' MET . 1.5 tpp -115.05 -44.49 3.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.5 p -109.7 -19.05 13.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.0 mmt-85 67.65 54.39 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.451 ' HG2' ' N ' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -115.99 148.1 40.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.451 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 0.6 OUTLIER -60.55 110.89 1.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.856 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.9 m -109.07 -32.9 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 46.48 -112.06 0.8 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.453 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.9 mt -74.45 -27.77 60.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.914 0.387 . . . . 0.0 110.954 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.6 p -84.94 33.13 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.57 166.87 40.14 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.577 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.4 t80 -139.46 116.25 10.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.827 0.346 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.85 113.17 24.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 22.7 t -84.82 166.14 17.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.54 ' HG3' ' CD2' ' A' ' 64' ' ' TYR . 30.1 mmt180 -66.46 -32.15 73.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 32.0 p -65.78 -4.81 7.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.64 44.11 8.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.415 ' ND2' ' CE2' ' A' ' 29' ' ' PHE . 46.8 m-20 -132.57 171.36 13.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.372 . . . . 0.0 110.862 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.433 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 24.7 tp -116.39 134.25 55.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.689 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 55.1 m-85 -133.62 154.32 50.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.4 p -81.58 22.81 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.845 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.5 -33.2 2.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.6 mp -73.24 -19.94 60.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.348 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 53' ' ' ARG . 46.1 m80 -117.55 -10.71 10.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.577 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 20.8 ptt85 -36.65 -50.58 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.477 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 40.0 m-85 -41.63 155.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.2 p -80.69 -29.91 36.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -93.07 19.21 8.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.477 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 56.1 mmtt -112.5 -39.67 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.689 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.3 p-80 -116.66 18.15 15.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.803 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 56.22 51.7 11.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.402 ' HB2' ' NE2' ' A' ' 58' ' ' HIS . 29.8 t -53.23 120.76 21.8 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.605 0.717 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.7 Cg_endo -69.77 -30.84 21.59 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.712 2.275 . . . . 0.0 112.33 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.422 ' O ' ' O ' ' A' ' 61' ' ' PRO . 0.1 OUTLIER -45.3 172.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -133.44 -4.01 2.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.54 ' CD2' ' HG3' ' A' ' 43' ' ' ARG . 0.6 OUTLIER -34.71 -38.6 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.857 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -42.78 -51.63 5.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.884 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.35 -38.87 59.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.091 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -63.33 116.66 5.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -148.63 133.07 17.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 78.5 p -120.7 132.61 55.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 132.46 -96.26 0.31 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.464 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 150.32 68.02 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.671 2.247 . . . . 0.0 112.344 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.4 t -140.69 156.86 46.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.828 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.6 t -146.8 145.56 29.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.44 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.8 m -129.55 123.97 32.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.358 . . . . 0.0 110.835 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.1 p -157.09 124.95 5.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.29 171.87 28.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 m -119.52 174.12 6.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.872 0.367 . . . . 0.0 110.853 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 p -156.06 148.66 23.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.506 ' HA3' ' C ' ' A' ' 8' ' ' PRO . . . -61.06 -105.6 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.469 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.506 ' C ' ' HA3' ' A' ' 7' ' ' GLY . 53.1 Cg_endo -69.83 130.16 16.18 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.64 -1.817 . . . . 0.0 112.331 0.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.427 ' N ' ' HA3' ' A' ' 7' ' ' GLY . 46.8 p -112.1 85.16 2.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.6 t -167.24 112.58 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m -98.12 94.84 7.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -130.87 91.46 3.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 52.9 m -98.07 79.97 2.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -108.94 111.3 22.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.4 mp0 -150.64 125.52 9.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.39 177.79 3.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.37 154.99 70.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.589 0.709 . . . . 0.0 111.089 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 126.56 13.41 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.643 2.228 . . . . 0.0 112.329 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -124.12 146.72 48.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.3 mt -115.19 151.51 45.82 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.72 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 163.06 39.7 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.339 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.62 136.21 24.32 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.577 0.703 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -42.77 3.13 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.65 2.233 . . . . 0.0 112.341 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -122.3 -50.15 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 26' ' ' ASN . 31.4 tttp 66.99 46.57 1.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 25' ' ' LYS . 1.6 p-10 36.53 44.05 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -132.75 142.15 48.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 17.5 t -46.17 150.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.623 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.34 3.15 43.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.1 tpp -115.21 -46.74 2.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.0 p -107.1 -17.7 14.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? 66.52 53.89 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -113.83 151.38 32.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.446 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 11.4 tppt? -65.81 107.07 1.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.3 m -103.06 -35.52 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.123 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.6 -105.2 0.1 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.409 ' N ' HD21 ' A' ' 37' ' ' LEU . 3.8 mm? -79.16 -34.0 43.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.856 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.4 p -81.94 36.62 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -88.12 165.27 34.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.579 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.2 t80 -137.51 121.42 17.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.916 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -95.04 113.56 25.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.5 t -84.99 166.33 16.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.569 ' HG3' ' CD2' ' A' ' 64' ' ' TYR . 17.9 mmt180 -67.82 -33.36 74.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.8 p -62.83 -7.7 5.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.64 43.08 7.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.45 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -133.11 172.46 12.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.434 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 23.0 tp -115.33 140.0 49.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.689 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 61.4 m-85 -138.89 153.75 48.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.5 p -82.15 22.96 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.26 -33.21 2.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.1 mp -73.27 -18.86 61.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.33 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -118.74 -10.12 10.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.816 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.579 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 23.3 ptt180 -37.1 -51.41 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.483 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 42.2 m-85 -39.96 154.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 p -81.45 -27.28 34.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.888 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -95.57 18.07 13.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 48.2 mmtt -110.62 -43.53 3.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.689 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 7.2 p-80 -111.67 18.84 18.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 56.08 51.3 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 32.2 t -53.22 120.5 20.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.598 0.713 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.419 ' O ' ' O ' ' A' ' 62' ' ' TYR . 54.2 Cg_endo -69.74 -30.65 22.02 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.384 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.469 ' CD2' ' HB3' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -44.96 171.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.6 0.14 2.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.569 ' CD2' ' HG3' ' A' ' 43' ' ' ARG . 0.5 OUTLIER -39.29 -38.06 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.866 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 66' ' ' ALA . 7.1 pttm -52.11 -44.36 64.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.401 ' N ' ' HG3' ' A' ' 65' ' ' LYS . . . -108.54 37.07 2.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -106.61 -46.75 3.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.46 161.51 17.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.3 t -78.66 117.45 19.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -153.37 142.5 9.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 104.27 1.3 Allowed 'Trans proline' 0 C--O 1.231 0.125 0 C-N-CA 122.716 2.277 . . . . 0.0 112.31 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.9 m -134.18 121.92 22.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 97.2 p -113.04 124.85 53.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.152 -0.804 . . . . 0.0 112.495 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 t -102.77 159.15 15.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.904 0.383 . . . . 0.0 110.819 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.7 p -143.38 131.36 21.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.46 164.36 18.99 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.48 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.4 t -173.2 141.08 0.91 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.892 0.377 . . . . 0.0 110.826 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -169.31 143.79 2.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.896 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.16 -162.0 0.64 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 165.95 75.48 Favored 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.289 0.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.2 p -147.52 119.91 8.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.8 m -145.24 141.84 28.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.849 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.6 m -78.58 168.45 19.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -109.67 -46.49 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.1 t -164.88 125.14 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -131.35 40.0 3.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -118.05 129.38 55.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.407 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -150.32 170.89 17.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -106.26 151.9 40.34 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.576 0.703 . . . . 0.0 111.07 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 117.57 5.16 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.646 2.231 . . . . 0.0 112.343 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -46.83 121.6 3.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 20' ' ' LEU . 4.2 mm? -53.47 157.16 3.72 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.594 0.711 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.78 144.12 52.91 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.366 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -135.66 123.18 14.93 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.589 0.709 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -39.44 6.55 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -132.93 99.33 4.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.441 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 12.2 ptpt -77.95 46.73 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 1.4 p-10 47.66 44.94 17.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.2 mtt-85 -131.48 145.63 51.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 19.6 t -48.38 149.94 1.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.637 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -98.75 4.56 47.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.1 tpp -117.82 -47.63 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.7 p -106.65 -17.98 14.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 14.2 mmt180 67.0 54.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.6 tttt -113.76 144.3 43.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -60.07 108.2 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.6 m -102.12 -39.81 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.41 -100.77 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.529 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -85.07 -31.87 23.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.875 0.369 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.0 p -83.32 36.05 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.17 157.44 30.6 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.579 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 0.8 OUTLIER -129.72 119.82 24.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.903 0.383 . . . . 0.0 110.886 -179.897 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -93.3 111.09 22.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.436 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 21.1 t -82.03 167.73 18.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -70.32 -29.28 65.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 31.3 p -68.44 -0.77 5.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.83 46.08 9.94 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -135.13 170.89 15.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.444 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 27.7 tp -114.63 137.33 52.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.691 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 67.0 m-85 -135.65 154.41 51.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.502 ' SG ' ' CD1' ' A' ' 51' ' ' LEU . 30.2 p -84.09 23.16 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.63 -29.19 2.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.502 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 4.9 mt -73.32 -24.64 60.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 53' ' ' ARG . 65.8 m80 -117.74 -5.68 11.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.579 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 28.7 ptt85 -37.46 -49.03 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.486 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 43.7 m-85 -44.2 152.7 0.17 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.401 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 7.1 p -78.6 -31.13 46.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -91.15 19.41 5.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.486 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 54.5 mmtt -112.8 -41.57 3.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.691 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 7.0 p-80 -113.15 18.92 17.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 56.46 50.37 13.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.418 ' HB2' ' NE2' ' A' ' 58' ' ' HIS . 32.7 t -53.71 120.89 24.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.655 0.74 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -32.43 18.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.724 2.283 . . . . 0.0 112.336 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.21 168.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 65' ' ' LYS . 2.3 m-20 -135.0 5.22 3.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.463 ' C ' ' O ' ' A' ' 63' ' ' ASP . 2.4 p90 -33.45 -34.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 63' ' ' ASP . 11.5 mtmt -43.8 -62.67 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.933 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.22 37.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 64' ' ' TYR . 15.3 tm-20 -94.46 -47.6 6.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -132.56 96.01 3.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.7 p -43.49 116.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -168.71 -157.84 11.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.548 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 166.82 26.37 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.295 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 55.7 p -116.72 150.39 38.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.0 m -148.74 177.02 9.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.48 -179.928 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 p -171.02 154.12 4.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -172.82 176.01 3.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.86 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.52 116.98 1.01 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -167.76 115.46 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.909 0.385 . . . . 0.0 110.881 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -172.1 170.29 5.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.417 ' HA3' ' HA ' ' A' ' 8' ' ' PRO . . . -66.71 -129.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.518 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.417 ' HA ' ' HA3' ' A' ' 7' ' ' GLY . 53.6 Cg_endo -69.72 147.67 85.04 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.705 -1.79 . . . . 0.0 112.318 0.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.8 m -160.7 125.26 3.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.0 m -145.86 115.1 7.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.4 p -171.65 118.18 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -120.94 -43.97 2.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 m -161.9 145.64 12.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -170.92 107.87 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -169.27 154.78 6.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.426 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -171.37 138.01 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -167.27 143.4 3.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.536 0.684 . . . . 0.0 111.098 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 125.22 11.91 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.722 2.281 . . . . 0.0 112.329 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -147.74 117.83 7.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 mp -106.55 155.66 38.44 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.619 0.724 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 136.39 32.75 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.709 2.273 . . . . 0.0 112.334 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.421 ' N ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -136.76 148.5 63.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 0.0 110.879 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -41.78 3.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -152.72 157.7 41.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -85.34 -75.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -126.47 37.86 4.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.3 mtt180 -136.63 147.23 46.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.7 t -50.56 152.48 1.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.598 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -101.34 1.18 38.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.401 ' SD ' ' O ' ' A' ' 30' ' ' MET . 1.3 tpp -114.88 -46.62 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.6 p -106.47 -17.94 14.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? 64.14 54.6 1.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.472 ' HG2' ' N ' ' A' ' 34' ' ' LYS . 7.8 ttpp -117.59 146.45 43.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.472 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -53.86 118.76 4.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.824 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 36' ' ' GLY . 3.0 m -116.16 -41.55 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.438 ' N ' ' CG2' ' A' ' 35' ' ' VAL . . . 63.14 -113.0 5.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.544 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.449 HD11 ' N ' ' A' ' 37' ' ' LEU . 11.1 mp -84.48 -32.44 23.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.939 0.399 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.8 p -67.76 -3.25 8.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -51.59 166.82 0.77 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.572 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.4 t80 -134.99 117.78 16.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.358 . . . . 0.0 110.886 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.73 108.14 19.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.2 t -82.13 166.4 19.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.591 ' HG3' ' CD2' ' A' ' 64' ' ' TYR . 18.8 mmt180 -67.99 -33.19 74.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.419 ' HA ' ' CD1' ' A' ' 62' ' ' TYR . 31.4 p -63.73 -6.84 6.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.93 43.93 6.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 -133.03 167.11 20.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 29' ' ' PHE . 19.8 tp -115.29 131.7 56.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.727 ' CE2' ' CG ' ' A' ' 58' ' ' HIS . 45.1 m-85 -130.98 155.32 47.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.7 p -80.79 19.76 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.94 -30.48 3.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.456 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.2 mp -75.9 -21.11 57.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 53' ' ' ARG . 48.2 m80 -115.09 -11.37 12.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.572 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 24.0 ptt180 -36.38 -49.38 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.515 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 46.5 m-85 -41.66 156.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.2 p -78.24 -38.22 43.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.85 19.99 2.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.515 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 19.5 mmtp -113.25 -42.21 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.727 ' CG ' ' CE2' ' A' ' 48' ' ' PHE . 5.8 p-80 -115.31 18.63 16.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.809 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 55.5 51.5 12.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.42 ' HB2' ' NE2' ' A' ' 58' ' ' HIS . 32.2 t -52.41 118.55 12.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.607 0.718 . . . . 0.0 110.852 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.1 Cg_endo -69.82 -28.89 24.41 Favored 'Trans proline' 0 C--O 1.231 0.131 0 C-N-CA 122.69 2.26 . . . . 0.0 112.311 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.419 ' CD1' ' HA ' ' A' ' 44' ' ' CYS . 0.1 OUTLIER -46.83 175.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.891 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.5 OUTLIER -129.88 -11.69 4.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.591 ' CD2' ' HG3' ' A' ' 43' ' ' ARG . 0.3 OUTLIER -37.38 -28.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.991 -179.844 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 63' ' ' ASP . 28.6 pttt -51.82 -48.19 64.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.894 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.413 ' N ' ' HG3' ' A' ' 65' ' ' LYS . . . -120.14 36.39 4.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -83.38 -43.33 16.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -111.01 -42.88 3.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.09 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.4 p -170.21 158.55 6.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -157.81 145.72 12.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 105.77 1.53 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.73 2.287 . . . . 0.0 112.349 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.8 t -66.98 147.78 52.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.5 p -128.82 130.2 46.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.47 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.6 p -172.3 136.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.377 . . . . 0.0 110.826 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.8 m -82.38 -56.69 3.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.33 150.2 5.51 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -83.14 172.88 12.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.881 0.372 . . . . 0.0 110.844 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 t -172.61 120.22 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.14 -162.47 21.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 145.49 79.53 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.309 0.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.0 p -174.01 150.49 1.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.4 m -132.74 152.35 51.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.0 m -98.25 156.74 16.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -112.52 146.86 37.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 64.2 m -132.27 116.52 17.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -137.67 108.23 6.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -129.78 90.77 3.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.417 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -87.85 124.14 33.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.91 123.49 15.43 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.714 . . . . 0.0 111.097 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 108.18 2.03 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.638 2.225 . . . . 0.0 112.341 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -110.69 140.26 45.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 51.3 mt -90.3 146.99 35.78 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.567 0.699 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 125.43 12.15 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.718 2.279 . . . . 0.0 112.322 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -43.2 150.11 0.5 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.621 0.724 . . . . 0.0 110.881 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 -47.46 0.93 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.741 2.294 . . . . 0.0 112.36 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.84 85.22 2.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' ASN . 0.1 OUTLIER -69.02 72.18 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.852 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' LYS . 0.6 OUTLIER 35.9 42.83 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.3 mtt180 -133.87 141.73 47.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 17.7 t -45.41 148.88 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.63 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -99.53 2.47 44.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -114.02 -45.89 3.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.1 p -108.24 -20.46 13.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.421 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 12.2 mmm180 68.4 53.34 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -118.44 137.79 52.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.91 118.49 2.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.8 m -114.06 -38.1 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.36 -108.45 0.31 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.548 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.52 -36.21 65.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.908 0.385 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.8 p -81.7 36.61 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -91.06 157.48 25.08 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.596 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.2 t80 -129.67 126.98 39.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.359 . . . . 0.0 110.884 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -100.0 112.14 24.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.818 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.403 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 22.8 t -82.98 167.4 17.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.556 ' HG3' ' CD2' ' A' ' 64' ' ' TYR . 60.3 mmt-85 -70.53 -33.16 70.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.804 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.0 p -63.41 -6.79 5.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.25 43.97 6.82 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -133.55 169.76 16.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.437 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 52.7 tp -112.46 141.11 46.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.691 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 63.8 m-85 -141.13 152.45 44.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.4 p -82.08 23.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.0 -32.74 2.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.467 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.9 mp -73.23 -21.07 60.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.85 0.357 . . . . 0.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -117.69 -8.81 10.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.596 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 22.6 ptt180 -37.86 -50.05 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.476 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 51.4 m-85 -40.82 155.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.5 p -80.59 -30.39 36.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.836 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -93.45 20.0 7.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.476 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 33.0 mmtm -113.08 -38.5 4.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.691 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.9 p-80 -117.35 18.69 14.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 55.99 52.13 11.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 31.9 t -53.83 120.51 23.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.649 0.737 . . . . 0.0 110.832 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' A' ' 62' ' ' TYR . 54.2 Cg_endo -69.76 -28.36 25.33 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.636 2.224 . . . . 0.0 112.392 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.508 ' CD2' ' HB3' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -46.03 174.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -134.94 -0.5 2.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.556 ' CD2' ' HG3' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -43.01 -34.75 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.884 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.484 ' HD2' ' N ' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -64.54 -37.63 88.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.484 ' N ' ' HD2' ' A' ' 65' ' ' LYS . . . -110.7 30.72 6.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -115.87 100.55 8.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.19 118.25 3.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.1 m -134.13 112.92 11.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 58.11 169.34 0.18 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -43.41 2.65 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.348 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 64.9 m -44.38 142.67 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.7 t -61.52 99.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.152 -0.804 . . . . 0.0 112.456 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m -160.44 115.22 2.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.879 0.371 . . . . 0.0 110.871 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -166.01 161.62 17.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.75 52.97 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.9 p -144.0 118.5 9.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.873 0.368 . . . . 0.0 110.82 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 p -174.32 112.62 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.889 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.79 176.56 22.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.446 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 135.8 35.66 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.7 -1.791 . . . . 0.0 112.349 0.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.2 m -93.14 103.83 16.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.1 p -123.13 91.81 3.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.1 p -126.72 82.12 2.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -171.64 127.28 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.921 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.9 p -168.57 127.98 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -115.69 83.4 1.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -152.91 105.58 2.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.0 142.47 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -168.86 133.57 1.34 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.623 0.725 . . . . 0.0 111.094 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 146.8 61.31 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.646 2.231 . . . . 0.0 112.371 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.424 ' C ' ' CD ' ' A' ' 19' ' ' GLU . 2.2 pp20? -114.07 146.78 39.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 68.6 mt -101.38 149.97 36.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.602 0.715 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 22' ' ' LYS . 53.9 Cg_endo -69.74 151.42 69.16 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 21' ' ' PRO . 10.6 ptpt -35.38 153.24 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.533 0.682 . . . . 0.0 110.94 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 6.95 1.11 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.372 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.407 ' H ' ' C ' ' A' ' 22' ' ' LYS . 31.2 mmtm -114.75 115.88 27.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -76.54 50.65 0.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 38.0 50.3 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.5 mtt-85 -132.96 148.1 52.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 20.2 t -49.21 148.68 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.643 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -97.2 5.21 50.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.6 tpp -119.57 -46.8 2.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.401 ' HB3' ' CE1' ' A' ' 52' ' ' HIS . 31.8 p -106.66 -17.05 14.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.424 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 0.6 OUTLIER 65.35 54.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.853 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -112.9 143.14 44.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.39 106.45 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.4 HG11 ' CB ' ' A' ' 49' ' ' CYS . 14.3 m -100.12 -39.16 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.069 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.27 -99.96 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -87.21 -29.86 21.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.904 0.383 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 79.1 p -83.22 32.68 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.0 156.99 38.7 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.52 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.578 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -131.38 121.57 24.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.915 -179.886 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -94.23 115.59 27.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.806 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.455 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 19.8 t -86.07 168.16 14.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 62.9 mmt-85 -68.85 -28.91 67.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.1 p -69.24 -0.82 6.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.2 45.48 11.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.523 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -134.28 173.07 12.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.827 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.438 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 33.4 tp -114.73 140.22 49.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.943 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.689 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 70.5 m-85 -138.31 154.73 49.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.4 ' CB ' HG11 ' A' ' 35' ' ' VAL . 31.3 p -84.41 24.26 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.58 -31.42 2.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.2 mt -71.69 -24.12 61.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.89 0.376 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.401 ' CE1' ' HB3' ' A' ' 31' ' ' CYS . 68.1 m80 -119.45 -2.9 10.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.578 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 28.5 ptt180 -38.58 -43.87 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.477 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 46.0 m-85 -48.07 178.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.8 p -96.65 -56.71 2.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -65.72 -3.9 5.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.477 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 28.0 mmtt -84.11 -45.12 13.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.689 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.3 p-80 -114.41 18.8 16.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 55.42 52.52 11.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 33.2 t -53.81 121.76 30.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.662 0.744 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.9 Cg_endo -69.77 -34.33 14.76 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.379 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.406 ' O ' ' O ' ' A' ' 61' ' ' PRO . 0.1 OUTLIER -45.55 172.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 65' ' ' LYS . 10.1 t0 -134.77 13.49 3.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.855 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.449 ' C ' ' O ' ' A' ' 63' ' ' ASP . 6.3 p90 -34.22 -32.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.523 ' N ' ' O ' ' A' ' 63' ' ' ASP . 14.6 mttt -43.68 -68.69 0.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.52 -49.45 66.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -43.81 128.66 5.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -172.41 140.73 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.2 m -83.11 117.71 23.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 149.64 126.62 1.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -0.46 6.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.721 2.281 . . . . 0.0 112.335 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.3 m -67.65 94.53 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.3 t -128.45 148.6 50.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.059 -0.856 . . . . 0.0 112.529 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.2 m -122.93 159.87 27.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.881 0.372 . . . . 0.0 110.889 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.8 p -168.48 162.73 12.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.89 88.63 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.3 m -96.4 132.89 41.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 110.841 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 t -105.61 89.3 3.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.03 -158.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.545 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 162.66 83.66 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.34 0.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.8 p -168.6 122.38 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.6 t -168.22 142.81 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.9 m -95.92 135.32 37.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -55.83 157.7 4.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.4 t -156.52 134.15 10.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -61.71 140.06 58.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -157.35 137.28 12.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.405 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 8.8 tmtm? -111.46 117.79 34.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.931 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.82 137.04 33.77 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.595 0.712 . . . . 0.0 111.081 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 146.77 61.19 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -67.39 141.85 56.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.401 HD11 ' C ' ' A' ' 20' ' ' LEU . 1.5 pp -70.04 151.17 96.15 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.565 0.697 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 119.96 6.82 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.694 2.263 . . . . 0.0 112.361 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -75.11 120.45 81.71 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.59 0.709 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -10.82 29.54 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.338 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -104.53 106.64 17.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -75.75 58.04 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 43.65 54.23 5.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 -138.44 142.61 39.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 18.9 t -44.35 152.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.632 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -99.7 3.63 45.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.9 tpp -118.97 -46.14 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 32' ' ' ARG . 31.8 p -108.13 -15.21 14.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.422 ' HD3' ' C ' ' A' ' 31' ' ' CYS . 2.9 mpp_? 61.97 54.95 2.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.4 tttp -113.33 144.2 43.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -55.38 108.28 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.431 HG21 ' N ' ' A' ' 36' ' ' GLY . 10.4 m -100.59 -42.9 10.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.431 ' N ' HG21 ' A' ' 35' ' ' VAL . . . 68.13 -107.19 1.96 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tt -94.6 -34.49 12.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.94 0.4 . . . . 0.0 110.925 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.9 p -63.5 -4.3 2.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -41.36 159.88 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.439 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.582 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.2 t80 -133.39 113.78 12.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -87.74 115.54 25.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.7 t -87.66 166.69 14.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -64.63 -33.11 75.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.8 p -65.94 -4.36 6.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.1 45.46 8.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.458 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.404 ' ND2' ' CE2' ' A' ' 29' ' ' PHE . 42.6 m-20 -131.83 171.21 13.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.426 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 20.1 tp -115.86 131.81 56.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.716 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 66.7 m-85 -130.22 154.77 47.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.92 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.425 ' SG ' ' CD1' ' A' ' 51' ' ' LEU . 30.8 p -83.69 23.7 0.95 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.67 -29.9 2.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.449 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.425 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 5.4 mt -73.11 -23.77 60.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' ARG . 67.0 m80 -118.29 -6.77 10.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.582 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 24.4 ptt180 -36.39 -48.56 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.481 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 37.5 m-85 -43.97 156.24 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.8 p -81.23 -31.32 33.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -92.11 19.56 6.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.481 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 57.5 mmtt -112.5 -38.82 4.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.716 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.7 p-80 -115.62 18.5 15.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 56.29 50.44 13.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 30.6 t -51.6 120.07 14.69 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.622 0.725 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -31.03 21.14 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.322 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -44.99 168.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 66' ' ' ALA . 0.5 OUTLIER -134.04 12.39 3.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -40.13 -40.76 1.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.506 ' HG2' ' N ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -59.56 -37.73 79.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.882 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.506 ' N ' ' HG2' ' A' ' 65' ' ' LYS . . . -86.48 -26.46 24.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.054 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -66.06 -48.33 71.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.62 139.99 58.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.5 m -63.81 162.42 13.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -147.42 178.1 25.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.476 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -1.14 7.96 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.707 2.271 . . . . 0.0 112.35 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 81.0 p -151.4 127.36 10.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 88.4 p -170.99 116.61 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.535 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 m -164.82 151.59 10.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.894 0.378 . . . . 0.0 110.871 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.7 t -168.12 128.58 1.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.6 -177.43 46.74 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -169.95 130.4 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 0.0 110.868 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 m -129.34 102.26 6.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' HA3' ' C ' ' A' ' 8' ' ' PRO . . . 69.7 -116.05 6.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.462 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.419 ' C ' ' HA3' ' A' ' 7' ' ' GLY . 53.4 Cg_endo -69.83 172.5 48.97 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.314 0.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.9 m -158.29 152.86 24.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.6 m -165.65 112.96 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.2 t -172.44 122.0 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -172.18 114.31 0.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.9 m -172.65 155.8 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -171.79 112.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -154.36 140.37 18.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -155.32 151.97 28.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -159.04 142.83 11.0 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.583 0.706 . . . . 0.0 111.055 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 162.0 43.75 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.269 . . . . 0.0 112.32 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -78.93 130.11 35.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 pp -91.64 150.43 40.99 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.621 0.724 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 22' ' ' LYS . 54.1 Cg_endo -69.73 112.78 3.17 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 0.0 112.321 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -35.1 145.71 0.19 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.585 0.707 . . . . 0.0 110.94 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 5.27 1.75 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.706 2.271 . . . . 0.0 112.311 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.6 75.94 1.02 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.7 tttt -52.01 -61.6 2.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -134.86 47.35 2.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.9 mtt180 -135.03 144.07 47.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.6 t -50.49 150.53 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.622 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.65 1.82 40.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.472 ' CE ' ' HA ' ' A' ' 58' ' ' HIS . 0.5 OUTLIER -114.86 -43.57 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.5 p -108.8 -19.81 13.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.9 mmm-85 68.26 54.79 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.3 tttt -117.6 149.14 41.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -62.52 107.13 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.442 ' CG2' ' N ' ' A' ' 36' ' ' GLY . 11.2 m -94.22 -44.47 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.442 ' N ' ' CG2' ' A' ' 35' ' ' VAL . . . 67.76 -103.65 1.01 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.54 -34.53 12.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.924 0.393 . . . . 0.0 110.897 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.3 p -67.85 -0.41 4.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.179 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -49.56 166.45 0.34 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.579 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.0 OUTLIER -142.49 121.76 13.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.866 -179.898 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.31 114.57 26.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.4 t -85.63 166.38 16.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.433 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . 25.9 mmt-85 -65.79 -33.82 76.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.2 p -65.45 -5.23 7.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.08 44.43 7.61 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.433 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -131.66 167.96 18.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.868 0.366 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.442 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 24.0 tp -113.89 135.4 54.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.685 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 51.5 m-85 -135.98 155.81 49.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.5 p -80.08 21.73 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' A' ' 48' ' ' PHE . . . 81.32 -34.53 2.44 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.4 mp -73.65 -18.03 61.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 54' ' ' TYR . 43.1 m80 -116.82 -13.59 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.579 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 14.9 ptt180 -39.76 -27.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.569 ' CD1' ' N ' ' A' ' 54' ' ' TYR . 0.9 OUTLIER -59.01 152.92 18.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.814 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.5 p -76.68 -34.26 58.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -89.58 15.48 9.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.834 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.559 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 38.1 mmtt -107.29 -50.46 3.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.685 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.9 p-80 -107.32 18.82 21.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 55.8 48.17 18.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.43 ' HB2' ' NE2' ' A' ' 58' ' ' HIS . 34.1 t -48.73 118.92 7.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.628 0.728 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -33.58 16.42 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.737 2.291 . . . . 0.0 112.371 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -44.42 168.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.906 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 65' ' ' LYS . 30.7 t0 -134.24 7.17 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.473 ' C ' ' O ' ' A' ' 63' ' ' ASP . 3.0 p90 -32.83 -34.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 63' ' ' ASP . 1.8 ptpt -54.46 -54.23 43.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.92 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -72.44 -40.13 67.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -45.2 92.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -139.56 167.88 21.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.7 t -104.65 110.94 23.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 125.22 -69.86 0.48 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 108.26 2.03 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.4 t -63.38 129.43 40.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.9 m -153.71 127.2 8.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.504 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.3 t -150.55 126.09 10.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 m -145.21 155.36 43.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.27 120.18 1.05 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.6 m -153.15 117.13 4.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 110.885 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -139.61 108.5 5.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.823 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.71 -151.49 20.33 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -176.58 12.81 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.705 -1.789 . . . . 0.0 112.371 -0.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.7 m -157.11 113.82 3.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.6 t -120.52 135.88 54.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.829 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.4 m -139.42 125.89 20.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -142.74 154.11 43.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.2 t -74.23 146.22 43.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -82.17 110.63 17.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -139.39 115.65 10.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -104.06 168.63 8.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.12 123.68 4.43 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.577 0.703 . . . . 0.0 111.075 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 143.37 50.49 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.355 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -140.04 123.7 17.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.04 155.96 40.68 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.643 0.735 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 128.17 15.64 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.684 2.256 . . . . 0.0 112.339 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -103.66 94.57 6.3 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.727 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 81.93 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm 51.45 41.18 28.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.6 mttt 44.71 41.23 4.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.868 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 38.36 45.01 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.2 mtt85 -130.61 142.15 50.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 19.6 t -43.68 149.83 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.629 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -99.2 4.23 46.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.838 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.3 tpp -116.39 -46.7 2.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.0 p -108.27 -19.12 13.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 16.0 mmm180 68.64 54.9 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.1 ttpp -114.21 141.57 47.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.68 108.8 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.3 m -102.54 -39.42 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.151 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 51.55 -98.35 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.7 mt -86.26 -31.05 21.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.859 0.362 . . . . 0.0 110.927 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.5 p -83.62 32.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.43 157.58 36.66 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.461 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.58 ' CZ ' ' HD2' ' A' ' 53' ' ' ARG . 1.0 OUTLIER -132.14 120.29 22.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.834 0.35 . . . . 0.0 110.933 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -94.29 113.11 24.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.413 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 23.0 t -84.64 166.99 16.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.445 ' HG3' ' CD2' ' A' ' 64' ' ' TYR . 15.1 mmp_? -68.11 -31.22 70.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.0 p -65.23 -5.37 6.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.99 44.09 7.85 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -133.97 172.24 13.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.439 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 28.5 tp -114.37 140.91 48.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.702 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 72.2 m-85 -138.66 153.31 48.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.481 ' SG ' ' CD1' ' A' ' 51' ' ' LEU . 31.3 p -83.88 23.16 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.89 -29.14 2.42 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.481 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 7.5 mt -73.32 -24.79 60.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.847 0.356 . . . . 0.0 110.944 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -118.67 -3.97 10.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.58 ' HD2' ' CZ ' ' A' ' 40' ' ' PHE . 32.5 ptt180 -38.79 -48.15 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.476 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 48.0 m-85 -44.25 156.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.0 p -81.32 -33.53 32.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.802 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -89.67 18.04 5.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.476 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 59.4 mmtt -110.6 -41.88 4.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.702 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.9 p-80 -112.73 19.13 17.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 56.15 51.28 12.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 32.8 t -53.73 120.6 23.75 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.646 0.736 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.415 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.7 Cg_endo -69.76 -30.92 21.48 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.415 ' O ' ' O ' ' A' ' 61' ' ' PRO . 0.1 OUTLIER -45.43 172.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -134.21 -3.06 2.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.471 ' C ' ' O ' ' A' ' 63' ' ' ASP . 0.7 OUTLIER -32.62 -36.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.831 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 63' ' ' ASP . 9.4 mtpt -39.62 -51.88 2.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.57 39.38 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -122.79 -54.52 1.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -118.34 115.04 23.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 m -44.15 121.83 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -155.9 -152.65 6.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.454 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -0.78 7.39 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.67 2.247 . . . . 0.0 112.338 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.6 p -50.82 160.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 54.2 p -150.55 145.09 25.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.501 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 m -161.71 123.55 2.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.849 0.357 . . . . 0.0 110.878 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.9 m -156.09 173.86 16.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.865 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.36 150.29 12.67 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 t -174.89 153.15 1.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.881 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.8 t -174.94 160.4 2.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.809 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.67 -169.34 6.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.488 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -176.79 13.17 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.353 0.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 m -173.24 142.6 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.5 m -159.95 173.59 15.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.3 t -165.01 169.11 16.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -174.87 145.65 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.6 p -154.93 124.51 6.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -140.08 169.21 18.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.846 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -140.15 105.21 4.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -150.41 141.55 23.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.92 150.95 1.36 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.613 0.721 . . . . 0.0 111.053 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 172.06 13.3 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.645 2.23 . . . . 0.0 112.353 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -147.15 155.43 42.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 pp -65.47 151.94 93.32 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.626 0.727 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 119.22 6.2 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -104.19 128.51 26.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.563 0.697 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -22.79 31.57 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.345 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -137.39 178.02 7.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -101.49 41.63 1.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 45.53 27.31 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -120.5 139.98 52.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 18.9 t -45.11 150.79 0.38 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.644 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -99.78 5.05 45.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.411 ' CE ' ' HA ' ' A' ' 58' ' ' HIS . 1.5 tpp -118.93 -44.43 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.433 ' HB3' ' CE1' ' A' ' 52' ' ' HIS . 31.2 p -110.5 -17.51 13.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 66.94 55.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -117.9 130.72 56.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -49.05 113.86 0.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.476 ' CG2' ' N ' ' A' ' 36' ' ' GLY . 3.6 m -104.58 -44.08 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.476 ' N ' ' CG2' ' A' ' 35' ' ' VAL . . . 69.13 -107.51 2.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tp -89.16 -35.51 16.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.9 0.381 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 24.3 p -69.1 1.09 3.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -51.7 166.1 0.93 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.458 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.585 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.2 t80 -136.56 114.1 10.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.886 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -88.7 113.95 24.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.417 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 23.3 t -84.57 167.53 16.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.844 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.436 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . 20.8 mmt180 -68.56 -29.98 68.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.3 p -68.33 -1.44 6.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.47 45.75 9.47 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.509 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -133.74 169.83 16.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.859 0.361 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.441 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 18.3 tp -113.92 136.57 52.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.693 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 69.0 m-85 -135.53 153.44 51.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.3 p -84.15 22.93 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.07 -28.31 2.59 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.51 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.5 mt -73.34 -25.72 60.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.821 0.343 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.433 ' CE1' ' HB3' ' A' ' 31' ' ' CYS . 65.2 m80 -118.7 -2.2 10.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.585 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 35.3 ptt85 -39.67 -47.91 2.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.484 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 40.9 m-85 -43.37 160.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.5 p -84.09 -33.48 24.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.818 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -90.37 18.32 6.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.484 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 24.3 mmtp -110.71 -39.75 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.693 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.8 p-80 -115.54 18.95 15.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 56.54 50.06 13.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.405 ' HB2' ' NE2' ' A' ' 58' ' ' HIS . 33.7 t -52.86 120.14 18.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.668 0.747 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.7 Cg_endo -69.74 -32.44 18.65 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.698 2.266 . . . . 0.0 112.33 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.436 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -44.37 169.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.468 ' O ' ' C ' ' A' ' 64' ' ' TYR . 7.8 m-20 -135.02 6.39 3.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.849 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.468 ' C ' ' O ' ' A' ' 63' ' ' ASP . 2.4 p90 -33.2 -39.22 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 63' ' ' ASP . 12.8 ptpt -48.04 -51.7 23.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.81 -38.65 73.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.063 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -51.63 95.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.03 101.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -66.74 -53.76 29.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 124.04 -71.68 0.43 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 121.41 8.1 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.368 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.1 t -104.03 -56.8 2.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 74' ' ' GLY . 60.1 p -51.0 -44.74 61.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 73' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.185 -0.786 . . . . 0.0 112.464 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.7 p -44.93 -48.19 11.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.796 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 t -109.86 145.82 36.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.878 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.31 103.44 0.28 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.9 p -137.56 122.15 18.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.901 0.381 . . . . 0.0 110.88 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.7 m -152.32 167.49 28.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.21 -66.68 2.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.468 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -50.16 0.2 OUTLIER 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 -1.806 . . . . 0.0 112.387 0.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.5 p -168.01 164.13 13.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 84.4 p -157.79 124.95 5.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.3 p -96.37 42.18 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -95.83 41.9 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -78.16 100.16 6.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -172.65 127.97 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -141.77 136.87 31.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -63.81 149.87 45.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -169.1 143.54 2.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.627 0.727 . . . . 0.0 111.067 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 162.96 40.07 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -144.46 144.24 31.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 pp -82.07 149.73 63.35 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.644 0.735 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 124.75 11.38 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.39 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -38.81 143.42 0.46 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.553 0.692 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 0.93 4.93 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -109.3 108.93 19.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 26' ' ' ASN . 48.4 mttp -84.44 76.06 10.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER 37.97 42.8 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -130.52 142.43 50.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.5 t -45.08 152.3 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.639 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.99 2.15 40.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.41 ' SD ' ' O ' ' A' ' 30' ' ' MET . 1.6 tpp -117.04 -44.33 2.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.0 p -108.17 -16.79 14.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 63.12 54.94 2.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.0 tttt -119.95 133.57 55.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -47.32 119.81 2.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.9 m -112.85 -36.3 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.59 -109.13 0.83 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.447 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.475 ' N ' HD21 ' A' ' 37' ' ' LEU . 4.1 mm? -77.54 -30.66 52.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.874 0.368 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.6 p -82.75 32.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.73 151.75 25.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.531 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.576 ' CD1' ' HB2' ' A' ' 53' ' ' ARG . 0.6 OUTLIER -126.71 119.34 26.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 0.0 110.887 -179.848 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -95.15 116.98 29.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.8 t -89.26 165.57 14.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.568 ' HG3' ' CD2' ' A' ' 64' ' ' TYR . 11.3 mmp_? -64.91 -34.74 79.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.442 ' HA ' ' CD1' ' A' ' 62' ' ' TYR . 29.2 p -61.71 -8.58 4.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.44 42.09 7.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.455 ' ND2' ' CE2' ' A' ' 29' ' ' PHE . 34.4 m-20 -130.25 168.67 16.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.38 . . . . 0.0 110.87 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.447 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 42.0 tp -113.98 137.55 51.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.711 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 66.2 m-85 -135.32 152.78 51.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 29.0 p -83.54 26.24 0.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.401 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . 81.4 -38.31 2.44 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.473 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 mp -69.28 -18.92 63.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.838 0.352 . . . . 0.0 110.932 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -120.98 -4.83 9.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.576 ' HB2' ' CD1' ' A' ' 40' ' ' PHE . 28.3 ptt180 -39.02 -48.24 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.483 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 55.5 m-85 -45.11 172.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.454 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 0.7 OUTLIER -90.78 -49.86 6.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.887 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -73.57 4.94 4.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 29.6 mmtt -96.04 -31.45 13.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.711 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 5.5 p-80 -126.12 18.71 7.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 55.33 49.03 17.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.454 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 24.6 t -45.16 118.62 3.8 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.613 0.721 . . . . 0.0 110.925 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.8 Cg_endo -69.72 -25.84 28.37 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.375 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.442 ' CD1' ' HA ' ' A' ' 44' ' ' CYS . 0.2 OUTLIER -50.93 -173.92 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.04 -17.83 4.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.568 ' CD2' ' HG3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -40.08 -30.87 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.822 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.46 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 10.6 ptmt -42.43 -40.2 2.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -114.71 -33.55 5.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -61.02 -59.97 4.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.09 88.41 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.087 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.2 t -61.55 151.92 31.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -112.29 -83.73 1.32 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 158.45 56.92 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.671 2.247 . . . . 0.0 112.351 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.2 t -100.85 152.78 20.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.3 t -133.71 124.27 26.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.097 -0.835 . . . . 0.0 112.518 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 3' ' ' SER . 34.0 t -54.19 -47.71 71.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.376 . . . . 0.0 110.853 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 2' ' ' SER . 66.4 p 34.62 44.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.09 80.38 0.32 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.514 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.1 t -105.61 93.37 4.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 110.887 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.8 m -160.94 172.83 16.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.493 ' HA3' ' C ' ' A' ' 8' ' ' PRO . . . -74.01 -106.36 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.552 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.493 ' C ' ' HA3' ' A' ' 7' ' ' GLY . 53.9 Cg_endo -69.71 165.46 76.44 Favored 'Cis proline' 0 C--O 1.231 0.162 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.373 -0.048 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.5 t -164.22 107.92 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.8 t -165.71 109.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.5 t -152.93 106.61 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.91 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -171.41 119.64 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 98.1 p -156.73 107.99 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -159.17 116.64 2.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -123.02 39.18 4.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -94.48 131.81 39.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -155.54 140.6 12.23 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.589 0.709 . . . . 0.0 111.11 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 164.2 35.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -99.69 135.72 40.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -55.46 157.02 7.51 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.601 0.715 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 155.03 66.72 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.652 2.235 . . . . 0.0 112.341 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -100.54 156.92 34.65 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.556 0.693 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -39.85 6.09 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.271 . . . . 0.0 112.35 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -152.5 122.23 6.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 24.9 tptt -82.83 47.23 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.425 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 1.6 p-10 46.07 50.3 11.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.8 mtt-85 -135.43 148.87 49.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.41 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 18.9 t -48.65 150.42 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.637 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -98.49 4.4 48.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.6 tpp -118.87 -45.66 2.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 32' ' ' ARG . 28.9 p -106.35 -18.9 13.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 31' ' ' CYS . 29.0 mmm-85 68.25 47.17 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 34' ' ' LYS . 32.5 tttp -105.71 151.31 24.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.453 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -65.28 111.91 3.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.847 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.441 HG12 ' CB ' ' A' ' 49' ' ' CYS . 7.9 m -105.09 -40.91 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.156 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 50.74 -95.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.463 ' N ' HD21 ' A' ' 37' ' ' LEU . 4.3 mm? -89.76 -31.47 17.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.842 0.353 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.3 p -82.67 32.86 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.136 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.06 153.1 32.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.58 ' CZ ' ' HD2' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -127.6 119.76 26.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 110.887 -179.877 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -93.34 113.79 26.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.5 t -85.24 167.17 15.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.402 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . 47.8 mmt-85 -67.9 -31.21 70.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.7 p -67.31 -2.27 5.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.62 46.55 8.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.531 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -134.25 168.91 18.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 0.0 110.962 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.439 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 28.2 tp -113.94 134.97 54.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.715 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 65.8 m-85 -133.15 155.79 48.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.494 ' SG ' ' CD1' ' A' ' 51' ' ' LEU . 30.6 p -84.64 23.88 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.36 -28.72 2.3 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.494 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 5.0 mt -74.4 -24.91 59.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -117.32 -4.55 11.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.58 ' HD2' ' CZ ' ' A' ' 40' ' ' PHE . 23.5 ptt180 -39.09 -47.85 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.836 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.486 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 44.3 m-85 -44.79 156.11 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.3 p -80.8 -32.63 35.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -90.37 19.16 5.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.486 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 12.1 mmtp -111.98 -42.6 3.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.715 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.8 p-80 -112.34 18.43 18.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 56.73 50.28 12.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.412 ' HB2' ' NE2' ' A' ' 58' ' ' HIS . 32.2 t -53.0 120.75 20.5 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.603 0.716 . . . . 0.0 110.923 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -32.02 19.36 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.347 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.402 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -45.64 168.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 65' ' ' LYS . 1.6 m-20 -134.53 5.87 3.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.483 ' C ' ' O ' ' A' ' 63' ' ' ASP . 2.9 p90 -31.73 -37.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 63' ' ' ASP . 14.9 pttp -48.49 -52.42 22.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.2 -41.94 63.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -46.74 144.33 2.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -154.41 148.24 25.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.5 m -128.83 89.59 2.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 147.63 -153.67 25.45 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 149.22 66.69 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.66 2.24 . . . . 0.0 112.365 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 91.2 p -69.96 144.72 52.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.6 t -103.28 106.57 17.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.495 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -164.44 170.7 15.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.855 0.36 . . . . 0.0 110.844 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -153.54 175.01 13.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.89 -179.58 27.66 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 t -173.72 159.79 3.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.892 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.5 p -172.28 140.59 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 41.72 -162.7 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 179.15 23.21 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.356 0.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.9 p -130.78 -61.11 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -172.14 151.1 2.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.829 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.9 p -174.17 130.69 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -106.35 86.88 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.6 p -167.6 107.98 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -84.65 35.88 0.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -69.92 90.15 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 mmtm -111.66 129.78 55.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -162.71 157.03 18.19 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 111.103 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 144.6 54.32 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.704 2.27 . . . . 0.0 112.296 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.1 mp0 -54.66 168.26 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -46.44 156.71 0.48 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.587 0.708 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 117.39 5.05 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -129.24 91.7 41.11 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.543 0.687 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 3.65 2.68 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.672 2.248 . . . . 0.0 112.306 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.46 105.95 8.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -81.4 44.01 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.472 ' ND2' ' HA2' ' A' ' 36' ' ' GLY . 6.8 t-20 63.17 37.07 11.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -121.76 140.35 52.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.9 t -42.74 151.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.612 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -101.36 2.26 39.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.582 ' SD ' ' CD2' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -118.0 -38.09 3.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.862 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.5 p -113.8 -18.12 11.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 64.45 54.87 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -121.49 135.94 54.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -50.78 114.13 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.1 m -103.95 -35.65 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.472 ' HA2' ' ND2' ' A' ' 26' ' ' ASN . . . 54.23 -109.8 1.31 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.437 ' N ' HD21 ' A' ' 37' ' ' LEU . 4.5 mm? -79.22 -29.38 42.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.858 0.361 . . . . 0.0 110.919 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.6 p -83.37 31.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.54 156.62 33.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.592 ' CZ ' ' HD2' ' A' ' 53' ' ' ARG . 1.0 OUTLIER -131.2 120.55 23.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.892 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -95.93 112.27 24.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.3 t -84.2 167.22 16.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.442 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . 13.8 mmm-85 -68.84 -30.88 69.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 46' ' ' ASN . 24.9 p -68.23 -0.4 4.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.19 47.33 9.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.498 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.468 ' ND2' ' CE2' ' A' ' 29' ' ' PHE . 33.2 m-20 -134.44 167.1 21.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.458 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 38.5 tp -113.73 136.79 52.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.672 ' CE2' ' CG ' ' A' ' 58' ' ' HIS . 57.1 m-85 -136.61 151.46 49.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 28.1 p -80.62 19.13 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.24 -29.18 3.98 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 mp -75.87 -22.94 55.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.832 0.349 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.582 ' CD2' ' SD ' ' A' ' 30' ' ' MET . 54.7 m80 -117.98 -6.83 10.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.592 ' HD2' ' CZ ' ' A' ' 40' ' ' PHE . 19.6 ptt85 -39.57 -51.79 2.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.487 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 35.3 m-85 -38.52 155.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.401 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 66.0 p -79.34 -31.81 43.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -91.96 18.88 7.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.487 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 40.8 mmtm -114.98 -35.51 4.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.672 ' CG ' ' CE2' ' A' ' 48' ' ' PHE . 5.8 p-80 -119.08 17.01 13.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 55.94 54.24 8.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.439 ' HB2' ' NE2' ' A' ' 58' ' ' HIS . 32.9 t -56.15 117.63 17.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.657 0.741 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.6 Cg_endo -69.84 -33.02 17.12 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.667 2.245 . . . . 0.0 112.318 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.442 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -45.7 172.92 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.945 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 65' ' ' LYS . 3.7 m-20 -135.0 9.48 3.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 63' ' ' ASP . 3.4 p90 -36.42 -30.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 63' ' ' ASP . 21.0 pttp -63.43 -47.48 81.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . -121.64 50.78 1.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -106.3 -14.89 14.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -113.91 97.0 6.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.3 t -86.57 -57.73 2.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 159.98 -82.65 0.14 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -178.1 2.18 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 63.6 p -84.73 42.87 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.6 t -125.7 90.87 3.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.473 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -169.66 158.96 7.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.1 p -126.72 130.84 51.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.67 43.14 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -105.05 86.65 2.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.877 0.37 . . . . 0.0 110.858 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -166.88 110.07 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.466 ' HA2' ' C ' ' A' ' 8' ' ' PRO . . . 132.03 166.12 11.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.466 ' C ' ' HA2' ' A' ' 7' ' ' GLY . 54.0 Cg_endo -69.76 171.18 54.91 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.347 0.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.1 m -105.59 119.63 39.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.818 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.3 p -153.86 163.51 39.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.0 t -153.67 134.22 13.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -146.87 147.83 31.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.5 p -157.82 125.42 5.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -131.03 102.73 6.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -159.81 130.7 5.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -168.66 174.21 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.929 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -124.66 155.52 69.45 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.606 0.717 . . . . 0.0 111.128 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 115.4 4.07 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.363 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -161.31 123.11 2.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.2 mt -142.57 152.6 60.4 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.65 0.738 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 178.82 4.16 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.695 2.263 . . . . 0.0 112.35 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -42.08 153.44 0.29 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.546 0.689 . . . . 0.0 110.912 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.441 ' C ' ' HD3' ' A' ' 24' ' ' LYS . 53.4 Cg_endo -69.75 -52.01 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.351 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.441 ' HD3' ' C ' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -128.96 77.61 1.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -60.81 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -132.72 43.06 3.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -132.98 142.02 48.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.405 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 17.0 t -47.7 151.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.613 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.7 2.4 41.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -115.32 -47.23 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 32' ' ' ARG . 31.8 p -106.48 -18.04 14.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER 65.59 54.92 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.7 tttm -116.54 140.72 49.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -55.94 107.43 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.8 m -99.1 -38.09 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 54.6 -110.19 1.53 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.534 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.4 mt -79.58 -28.42 41.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.909 0.385 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 24.1 p -85.62 33.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.57 168.5 42.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.593 ' CZ ' ' HD2' ' A' ' 53' ' ' ARG . 1.1 t80 -141.46 124.72 16.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.872 0.368 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -98.58 114.38 26.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.402 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 23.2 t -85.34 166.75 16.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.496 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . 23.1 mmt180 -69.4 -28.71 66.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.3 p -69.27 -1.17 7.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.29 46.78 8.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.446 ' ND2' ' CE2' ' A' ' 29' ' ' PHE . 36.5 m-20 -137.06 168.34 19.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.876 0.369 . . . . 0.0 110.862 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.475 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 20.3 tp -112.33 140.59 46.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.685 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 64.7 m-85 -138.92 153.39 48.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 28.2 p -82.59 23.64 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.37 -32.34 2.33 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.3 mp -72.81 -22.9 60.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.457 ' O ' ' C ' ' A' ' 53' ' ' ARG . 51.2 m80 -115.82 -12.86 11.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.593 ' HD2' ' CZ ' ' A' ' 40' ' ' PHE . 21.7 ptt180 -33.97 -48.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.516 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 62.8 m-85 -45.74 150.07 0.56 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.422 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 16.7 p -74.46 -38.32 62.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -85.5 20.39 2.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.516 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 2.4 mmmp? -114.53 -37.94 4.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.685 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 7.1 p-80 -118.61 21.2 12.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 54.36 50.6 15.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.427 ' HB2' ' NE2' ' A' ' 58' ' ' HIS . 38.2 t -53.84 121.32 27.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.635 0.731 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -32.37 18.58 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.656 2.237 . . . . 0.0 112.347 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.496 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -44.32 167.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.949 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 66' ' ' ALA . 3.6 m-20 -134.98 12.63 3.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -40.22 -30.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 66' ' ' ALA . 24.3 pttt -60.79 -44.13 97.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.421 ' N ' ' HG3' ' A' ' 65' ' ' LYS . . . -100.21 39.96 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.084 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -128.47 -55.4 1.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -161.91 147.82 13.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.066 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.8 m 46.31 48.7 13.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -128.85 65.55 0.58 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 179.92 3.37 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.729 2.286 . . . . 0.0 112.348 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.0 m -103.71 94.11 5.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 t -78.12 144.6 36.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.482 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 m -154.66 147.09 23.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.886 0.374 . . . . 0.0 110.889 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.2 p -171.92 170.42 5.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.64 129.1 2.13 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 p -116.58 133.13 56.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.915 0.388 . . . . 0.0 110.852 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -150.83 176.39 11.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.448 ' HA3' ' C ' ' A' ' 8' ' ' PRO . . . -81.08 -115.41 0.35 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.448 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.448 ' C ' ' HA3' ' A' ' 7' ' ' GLY . 53.2 Cg_endo -69.79 -179.39 19.09 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.657 -1.809 . . . . 0.0 112.351 0.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 m -127.96 144.32 51.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 84.9 p -171.56 141.88 1.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.1 m -102.87 172.51 6.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -156.38 124.63 5.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.6 m -132.83 172.53 12.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -125.41 150.68 47.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -126.02 79.47 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.07 152.66 10.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -155.47 145.21 15.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.6 0.714 . . . . 0.0 111.094 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 168.35 21.81 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.655 2.237 . . . . 0.0 112.327 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 20' ' ' LEU . 8.2 pt-20 -110.78 176.45 5.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' GLU . 3.3 mm? -38.1 152.88 0.15 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.639 0.733 . . . . 0.0 110.933 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 156.23 63.87 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.71 2.274 . . . . 0.0 112.306 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -130.74 149.1 72.65 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.587 0.708 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -33.02 17.53 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.736 2.291 . . . . 0.0 112.304 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.3 mmtt -143.88 121.37 11.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 26' ' ' ASN . 5.3 ttpm? -78.61 54.79 1.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.469 ' C ' ' O ' ' A' ' 25' ' ' LYS . 28.2 p30 32.69 45.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -120.35 140.3 51.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 17.5 t -47.29 152.67 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.623 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -101.0 2.91 41.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -117.13 -44.95 2.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.425 ' HB3' ' CE1' ' A' ' 52' ' ' HIS . 30.0 p -110.25 -15.77 13.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 1.6 mpt_? 63.86 54.9 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -113.26 141.59 46.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -56.38 108.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.481 HG22 ' N ' ' A' ' 36' ' ' GLY . 3.6 m -101.48 -26.7 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.481 ' N ' HG22 ' A' ' 35' ' ' VAL . . . 43.74 -92.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 35' ' ' VAL . 7.3 mp -98.06 -27.95 13.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.917 0.389 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 35' ' ' VAL . 58.1 p -82.31 36.53 0.47 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.1 164.04 40.16 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.585 ' CZ ' ' HD2' ' A' ' 53' ' ' ARG . 1.2 t80 -139.77 116.34 10.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -91.01 113.62 25.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.9 t -85.52 166.65 16.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.428 ' HG3' ' CD2' ' A' ' 64' ' ' TYR . 6.8 mmm180 -66.39 -33.28 75.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 31.5 p -64.38 -5.68 5.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.93 44.72 7.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.463 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -132.62 169.64 16.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 0.0 110.828 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.439 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 19.5 tp -113.44 135.48 53.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.721 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 71.9 m-85 -134.14 152.42 51.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 30.5 p -83.17 22.72 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.38 -28.62 2.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.7 mt -73.25 -25.27 60.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.425 ' CE1' ' HB3' ' A' ' 31' ' ' CYS . 64.6 m80 -118.68 -4.77 10.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.585 ' HD2' ' CZ ' ' A' ' 40' ' ' PHE . 27.7 ptt85 -37.72 -47.92 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.474 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 53.4 m-85 -43.29 160.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.6 p -83.73 -34.41 24.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.847 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -90.01 18.69 5.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.474 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 47.1 mmtt -110.54 -39.62 4.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.721 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.7 p-80 -116.2 18.63 15.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 56.64 50.67 12.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 31.9 t -52.95 119.08 15.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.614 0.721 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' A' ' 62' ' ' TYR . 54.3 Cg_endo -69.77 -30.81 21.66 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.661 2.241 . . . . 0.0 112.386 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.454 ' CD2' ' HB3' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -44.76 171.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -134.18 -0.66 3.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.488 ' O ' ' C ' ' A' ' 65' ' ' LYS . 0.9 OUTLIER -35.34 -43.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.761 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 64' ' ' TYR . 11.7 pttp -31.0 -42.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.478 ' O ' ' C ' ' A' ' 67' ' ' GLU . . . -131.3 -54.17 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 66' ' ' ALA . 2.0 pt-20 32.2 42.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.72 -49.73 3.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.1 p -94.05 133.43 37.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.19 95.27 0.9 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.451 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -9.28 25.72 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.0 m -130.2 -52.53 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.4 t -131.36 109.26 10.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.511 179.973 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -153.93 174.19 14.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.885 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.4 p -167.95 163.02 13.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.02 153.7 24.9 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.436 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -170.49 120.53 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.3 p -163.28 145.75 10.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.466 ' HA3' ' C ' ' A' ' 8' ' ' PRO . . . -75.51 -114.77 0.11 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.473 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.466 ' C ' ' HA3' ' A' ' 7' ' ' GLY . 53.9 Cg_endo -69.75 178.83 24.06 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.358 0.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -153.59 108.83 3.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.9 t -168.89 130.14 1.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.6 m -156.38 141.11 17.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.809 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -152.36 105.46 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 m -163.4 143.64 8.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -174.66 131.5 0.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -152.91 125.28 8.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.445 ' HG2' ' N ' ' A' ' 17' ' ' ALA . 17.7 tttm -88.25 144.09 26.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.445 ' N ' ' HG2' ' A' ' 16' ' ' LYS . . . -107.36 137.24 19.57 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.578 0.704 . . . . 0.0 111.091 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 167.42 24.5 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.356 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -152.69 138.44 17.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -42.18 154.15 0.27 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.63 0.729 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 108.62 2.13 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.713 2.275 . . . . 0.0 112.354 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -110.56 141.69 24.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.626 0.727 . . . . 0.0 110.844 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -14.4 35.97 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.665 2.243 . . . . 0.0 112.319 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -141.82 110.45 6.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.918 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -50.81 -178.68 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -77.0 47.91 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -138.94 148.99 44.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.7 t -49.55 151.89 1.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.632 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.58 4.09 43.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.623 ' SD ' ' CD2' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -119.73 -40.6 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.471 ' HB3' ' CE1' ' A' ' 52' ' ' HIS . 31.7 p -112.65 -16.89 12.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 64.07 54.49 1.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.8 tttt -115.5 139.82 49.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -55.11 111.03 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.463 ' CG2' ' N ' ' A' ' 36' ' ' GLY . 3.5 m -104.18 -43.24 8.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.463 ' N ' ' CG2' ' A' ' 35' ' ' VAL . . . 55.78 -101.44 0.13 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.485 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.1 mt -84.64 -30.67 24.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.906 0.384 . . . . 0.0 110.898 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.1 p -84.08 32.3 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.51 159.06 38.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.595 ' CZ ' ' HD2' ' A' ' 53' ' ' ARG . 1.1 t80 -132.6 110.7 10.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.868 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 41' ' ' ASP . 3.3 p30 -89.22 113.66 24.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.3 t -86.55 166.19 15.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.577 ' HG3' ' CD2' ' A' ' 64' ' ' TYR . 2.8 mmp_? -66.14 -33.33 75.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 28.6 p -61.94 -8.47 5.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.64 42.7 7.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -131.84 169.19 16.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.886 0.374 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.432 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 18.4 tp -114.82 135.25 54.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.659 ' CE2' ' CG ' ' A' ' 58' ' ' HIS . 67.1 m-85 -133.54 151.61 51.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.495 ' SG ' ' CD1' ' A' ' 51' ' ' LEU . 31.4 p -82.99 21.44 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.05 -28.05 2.97 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.495 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 5.9 mt -74.17 -25.09 59.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.811 0.339 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.623 ' CD2' ' SD ' ' A' ' 30' ' ' MET . 67.7 m80 -119.23 -3.94 10.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.595 ' HD2' ' CZ ' ' A' ' 40' ' ' PHE . 22.6 ptt180 -38.33 -49.0 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.489 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 33.6 m-85 -39.96 152.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.8 p -77.68 -29.5 51.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -94.7 20.0 9.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.489 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 39.2 mmtm -116.17 -30.13 6.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.659 ' CG ' ' CE2' ' A' ' 48' ' ' PHE . 4.8 p-80 -122.67 18.56 10.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 54.57 53.22 11.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.409 ' HB2' ' NE2' ' A' ' 58' ' ' HIS . 28.4 t -52.48 116.64 9.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.722 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.423 ' O ' ' O ' ' A' ' 62' ' ' TYR . 54.3 Cg_endo -69.68 -26.95 27.46 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.423 ' O ' ' O ' ' A' ' 61' ' ' PRO . 0.2 OUTLIER -47.48 178.18 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -125.83 -18.21 5.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 179.908 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.577 ' CD2' ' HG3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -36.98 -31.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.832 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 63' ' ' ASP . 19.9 pttt -39.06 -41.44 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.93 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.32 -39.55 12.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.55 92.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -162.89 124.6 2.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.3 m 39.32 41.37 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 122.54 136.51 4.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.66 -34.1 15.62 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.707 2.271 . . . . 0.0 112.362 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 73.2 m -144.15 136.35 26.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.5 m -92.13 42.37 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.475 -179.935 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.2 p -169.39 146.03 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.889 0.376 . . . . 0.0 110.881 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.3 p -55.52 150.91 11.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.09 136.95 5.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.526 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -148.56 114.41 5.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.873 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 m -143.83 172.02 13.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.37 -163.69 39.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.452 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 134.61 30.21 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.351 0.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -142.5 167.36 22.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.9 m -141.88 145.66 34.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.5 p -120.11 110.1 16.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -143.47 126.68 16.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 85.9 p -151.33 137.83 18.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -154.1 123.08 6.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -121.84 40.45 3.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -147.63 -178.46 6.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.464 ' N ' ' HD2' ' A' ' 16' ' ' LYS . . . -154.27 145.41 16.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.587 0.708 . . . . 0.0 111.119 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 107.76 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.722 2.281 . . . . 0.0 112.334 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -133.15 151.95 51.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 pp -111.55 152.72 44.21 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.618 0.723 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 120.56 7.32 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.709 2.273 . . . . 0.0 112.336 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.518 ' C ' ' H ' ' A' ' 24' ' ' LYS . 25.8 mtmt -97.7 126.5 40.79 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.548 0.69 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.475 ' C ' ' HG3' ' A' ' 24' ' ' LYS . 53.9 Cg_endo -69.74 20.75 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.709 2.273 . . . . 0.0 112.34 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.518 ' H ' ' C ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 35.15 39.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -39.42 -58.56 1.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.945 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -135.0 34.96 3.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.3 mtt85 -130.03 137.81 50.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.2 t -45.95 151.86 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.597 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.74 1.53 40.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.7 tpp -114.75 -46.97 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.6 p -106.85 -18.3 13.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? 64.86 54.91 1.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.8 tttm -117.32 139.37 50.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -52.54 109.46 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.9 m -101.64 -41.35 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.86 -106.96 1.55 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.13 -33.9 19.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.938 0.399 . . . . 0.0 110.966 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.9 p -68.39 0.11 4.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -52.63 163.32 1.98 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.46 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.575 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.4 t80 -138.11 117.97 13.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 110.869 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -92.23 111.02 22.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.0 t -84.38 166.95 16.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.588 ' HG3' ' CD2' ' A' ' 64' ' ' TYR . 22.0 mmt180 -68.42 -33.44 74.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.458 ' HA ' ' CD1' ' A' ' 62' ' ' TYR . 31.5 p -62.57 -7.83 5.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.87 43.04 6.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 -133.16 170.66 15.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.436 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 11.6 tp -117.24 135.48 53.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.718 ' CE2' ' CG ' ' A' ' 58' ' ' HIS . 48.8 m-85 -134.01 155.12 50.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.6 p -81.85 22.95 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.82 -33.47 2.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.8 mp -74.03 -19.45 60.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 53' ' ' ARG . 47.3 m80 -116.49 -12.28 11.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.575 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 21.3 ptt85 -35.58 -52.97 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.491 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 35.0 m-85 -38.83 156.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.2 p -79.85 -34.26 39.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -90.08 18.69 5.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.491 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 36.1 mmtm -112.22 -39.4 4.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.718 ' CG ' ' CE2' ' A' ' 48' ' ' PHE . 5.8 p-80 -116.87 18.2 14.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.838 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 55.65 50.97 13.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.427 ' HB2' ' NE2' ' A' ' 58' ' ' HIS . 32.6 t -51.37 119.24 12.37 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.43 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.9 Cg_endo -69.72 -27.16 27.02 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.654 2.236 . . . . 0.0 112.37 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.458 ' CD1' ' HA ' ' A' ' 44' ' ' CYS . 0.3 OUTLIER -47.61 178.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.6 OUTLIER -128.78 -16.51 4.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.588 ' CD2' ' HG3' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -35.44 -31.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 -179.832 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' A' ' 63' ' ' ASP . 11.6 ptpt -40.95 -44.29 2.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -112.65 46.33 1.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -86.69 40.34 0.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -121.99 -55.92 1.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.072 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.9 m -63.26 141.4 58.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 173.56 63.14 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -176.45 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.328 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.2 t -91.09 82.9 5.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.3 t -109.62 94.68 5.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.83 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.068 -0.851 . . . . 0.0 112.441 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 p -162.77 145.92 11.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.901 0.382 . . . . 0.0 110.866 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -165.73 173.66 10.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.18 -178.4 35.12 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.524 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.2 p -169.88 174.96 5.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 m -155.65 150.26 26.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.25 -166.19 0.5 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 178.86 24.04 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.335 0.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.6 m -137.0 146.49 45.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.4 p -137.55 174.56 10.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.7 t -145.04 108.0 4.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.838 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -139.9 153.9 47.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.0 t -120.83 118.85 31.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -171.68 131.95 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -138.37 108.77 6.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -103.54 166.65 10.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -163.11 129.38 2.33 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.554 0.692 . . . . 0.0 111.069 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 113.66 3.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 0.0 112.363 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -97.15 47.45 1.04 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.4 mt -76.61 158.19 81.31 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.611 0.719 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 134.7 28.69 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.665 2.243 . . . . 0.0 112.404 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.424 ' N ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -103.4 120.84 50.59 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.591 0.71 . . . . 0.0 110.926 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 2.69 3.31 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.26 . . . . 0.0 112.324 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.47 -33.94 2.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.435 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 57.2 mttt 38.82 40.93 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.435 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 1.5 p-10 46.58 49.14 13.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -137.3 152.05 49.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 18.5 t -51.5 150.7 3.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.63 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -99.12 3.67 46.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.413 ' SD ' ' O ' ' A' ' 30' ' ' MET . 1.4 tpp -118.66 -44.53 2.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.0 p -108.18 -17.42 14.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 0.9 OUTLIER 65.48 54.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -112.83 147.79 36.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.67 107.63 1.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.2 m -101.68 -39.52 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 50.15 -96.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.3 mt -88.28 -29.35 20.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.899 0.38 . . . . 0.0 110.925 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.7 p -85.07 33.47 0.54 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.62 157.13 35.76 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.533 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.578 ' CZ ' ' HD2' ' A' ' 53' ' ' ARG . 1.1 t80 -131.65 119.77 21.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.868 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.57 111.56 23.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.6 t -83.66 166.99 17.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.558 ' HG3' ' CD2' ' A' ' 64' ' ' TYR . 7.3 mmm180 -67.2 -31.55 72.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 32.1 p -66.18 -4.63 7.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.84 45.36 7.77 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.496 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -134.41 169.92 16.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.449 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 20.1 tp -113.36 137.79 51.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.698 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 70.4 m-85 -135.87 153.94 51.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.497 ' SG ' ' CD1' ' A' ' 51' ' ' LEU . 30.1 p -83.5 24.59 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.18 -29.58 2.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.506 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.497 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 6.1 mt -72.91 -25.97 61.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.857 0.36 . . . . 0.0 110.94 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -117.46 -3.99 11.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.578 ' HD2' ' CZ ' ' A' ' 40' ' ' PHE . 33.6 ptt180 -38.3 -41.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.478 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 55.5 m-85 -48.98 -179.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.7 p -97.14 -55.56 2.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.821 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -0.55 4.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.478 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 29.8 mmtm -87.71 -45.98 9.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.698 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.2 p-80 -113.71 19.0 17.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 54.96 49.39 17.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.416 ' HB2' ' NE2' ' A' ' 58' ' ' HIS . 34.1 t -48.85 119.77 8.62 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.584 0.707 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.414 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.4 Cg_endo -69.82 -27.8 25.76 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.331 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.443 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -46.18 174.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.963 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.42 -7.28 4.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.558 ' CD2' ' HG3' ' A' ' 43' ' ' ARG . 0.3 OUTLIER -38.67 -37.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 -179.859 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -33.39 -38.53 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 64' ' ' TYR . . . -125.81 51.02 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -83.72 91.74 7.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -172.99 151.86 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.09 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.0 t -118.98 127.37 53.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 118.31 157.78 10.65 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.536 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -2.24 9.81 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.729 2.286 . . . . 0.0 112.307 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 t -39.41 121.1 1.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.3 t -57.89 141.81 48.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.435 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.895 0.379 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 16.3 t -47.88 151.2 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.62 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -101.3 2.01 39.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.468 ' CE ' ' HA ' ' A' ' 58' ' ' HIS . 1.6 tpp -115.2 -42.91 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.448 ' C ' ' HD3' ' A' ' 32' ' ' ARG . 32.1 p -110.45 -16.57 13.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.448 ' HD3' ' C ' ' A' ' 31' ' ' CYS . 0.8 OUTLIER 64.2 54.66 1.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.554 ' O ' HG13 ' A' ' 35' ' ' VAL . 6.6 ttmm -117.81 148.07 42.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.463 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -59.58 111.72 1.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 33' ' ' LYS . 4.5 m -111.23 -31.69 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.178 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.84 -105.66 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 mt -76.15 -31.87 58.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.875 0.369 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 35' ' ' VAL . 80.7 p -82.68 33.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.4 165.33 37.17 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.455 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.59 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.5 t80 -139.06 118.95 13.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -91.47 113.4 25.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.825 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.415 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 24.2 t -85.36 166.37 16.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.439 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . 20.3 mmt180 -66.89 -31.34 71.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 31.1 p -67.25 -2.96 6.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.88 45.11 8.6 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.401 ' ND2' ' CE2' ' A' ' 29' ' ' PHE . 40.7 m-20 -133.5 170.64 15.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.855 0.359 . . . . 0.0 110.867 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.48 HD12 ' H ' ' A' ' 40' ' ' PHE . 26.5 tp -114.8 137.53 51.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.71 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 60.5 m-85 -137.04 153.53 50.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.545 ' HB3' HG12 ' A' ' 35' ' ' VAL . 28.0 p -81.12 20.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.48 -31.26 2.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.7 mp -74.04 -20.83 60.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -118.14 -8.52 10.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.59 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 22.1 ptt85 -37.66 -50.8 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.489 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 47.8 m-85 -39.88 158.15 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.402 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 3.3 p -83.16 -29.18 28.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.56 19.04 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.821 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.489 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 31.5 mmtm -110.77 -42.14 4.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.71 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 7.0 p-80 -114.25 18.98 16.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.0 m120 56.31 50.91 12.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.402 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 31.7 t -52.59 120.84 19.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.629 0.728 . . . . 0.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.424 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.4 Cg_endo -69.74 -31.68 20.12 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.695 2.264 . . . . 0.0 112.338 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -45.15 172.5 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.503 ' O ' HD23 ' A' ' 47' ' ' LEU . 20.0 mtt180 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.87 0.366 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.409 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 17.8 t -45.45 151.27 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.63 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -101.67 2.17 38.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.413 ' SD ' ' O ' ' A' ' 30' ' ' MET . 1.2 tpp -114.02 -45.88 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.8 p -109.3 -18.77 13.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? 65.73 55.02 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.573 ' O ' HG13 ' A' ' 35' ' ' VAL . 40.4 tttt -118.49 133.3 55.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -45.21 109.62 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.573 HG13 ' O ' ' A' ' 33' ' ' LYS . 8.3 m -103.48 -36.2 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 50.98 -112.86 1.85 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.6 mp -75.77 -28.95 58.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.859 0.361 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.8 p -83.35 29.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.08 163.67 41.72 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.482 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.597 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.4 t80 -137.47 117.88 13.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.862 0.363 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -92.84 111.64 23.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.2 t -84.3 166.25 17.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -68.35 -31.67 71.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.3 p -63.98 -6.49 6.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.75 43.23 7.35 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -134.58 170.31 15.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 27' ' ' ARG . 20.1 tp -115.04 140.23 49.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.7 ' CE2' ' CG ' ' A' ' 58' ' ' HIS . 60.1 m-85 -138.58 153.25 48.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.57 ' HB3' HG12 ' A' ' 35' ' ' VAL . 26.4 p -81.37 22.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.65 -30.98 2.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 49' ' ' CYS . 6.5 mp -75.72 -21.0 57.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.812 0.339 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -116.07 -10.54 11.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.597 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 23.9 ptt180 -37.27 -50.45 1.0 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.502 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 53.6 m-85 -39.81 158.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.917 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.41 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 5.2 p -81.13 -32.24 33.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.882 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -92.88 21.46 5.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.502 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 31.2 mmtm -114.99 -36.97 4.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.7 ' CG ' ' CE2' ' A' ' 48' ' ' PHE . 5.6 p-80 -119.66 18.77 12.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 55.28 50.9 14.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.41 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 29.2 t -50.87 118.96 10.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.676 0.75 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.423 ' O ' ' O ' ' A' ' 62' ' ' TYR . 54.0 Cg_endo -69.7 -30.12 23.06 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.718 2.279 . . . . 0.0 112.347 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.423 ' O ' ' O ' ' A' ' 61' ' ' PRO . 0.2 OUTLIER -46.47 175.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.955 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.869 0.366 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.417 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 17.3 t -47.5 152.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.619 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -101.61 2.42 38.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.412 ' SD ' ' O ' ' A' ' 30' ' ' MET . 1.5 tpp -115.05 -44.49 3.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.5 p -109.7 -19.05 13.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.0 mmt-85 67.65 54.39 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.507 ' O ' HG13 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -115.99 148.1 40.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.467 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 0.6 OUTLIER -60.55 110.89 1.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.856 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.514 HG12 ' HB3' ' A' ' 49' ' ' CYS . 6.9 m -109.07 -32.9 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 46.48 -112.06 0.8 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.453 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.9 mt -74.45 -27.77 60.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.914 0.387 . . . . 0.0 110.954 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.6 p -84.94 33.13 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.57 166.87 40.14 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.596 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.4 t80 -139.46 116.25 10.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.827 0.346 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.85 113.17 24.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.408 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 22.7 t -84.82 166.14 17.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -66.46 -32.15 73.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 32.0 p -65.78 -4.81 7.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.64 44.11 8.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.415 ' ND2' ' CE2' ' A' ' 29' ' ' PHE . 46.8 m-20 -132.57 171.36 13.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.372 . . . . 0.0 110.862 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.486 HD12 ' H ' ' A' ' 40' ' ' PHE . 24.7 tp -116.39 134.25 55.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.689 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 55.1 m-85 -133.62 154.32 50.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.514 ' HB3' HG12 ' A' ' 35' ' ' VAL . 27.4 p -81.58 22.81 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.5 -33.2 2.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.6 mp -73.24 -19.94 60.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.348 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 53' ' ' ARG . 97.8 m-70 -117.55 -10.71 10.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.596 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 20.8 ptt85 -36.65 -50.58 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.481 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 40.0 m-85 -41.63 155.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.415 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 16.2 p -80.69 -29.91 36.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -93.07 19.21 8.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.481 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 56.1 mmtt -112.5 -39.67 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.689 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.3 p-80 -116.66 18.15 15.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.803 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.7 m120 56.22 51.7 11.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 29.8 t -53.23 120.76 21.8 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.605 0.717 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.7 Cg_endo -69.77 -30.84 21.59 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.712 2.275 . . . . 0.0 112.33 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.422 ' O ' ' O ' ' A' ' 61' ' ' PRO . 0.1 OUTLIER -45.3 172.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.448 ' O ' HD23 ' A' ' 47' ' ' LEU . 16.4 mtt180 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.865 0.364 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.423 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 17.5 t -46.17 150.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.623 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.34 3.15 43.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.1 tpp -115.21 -46.74 2.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.0 p -107.1 -17.7 14.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 3.9 mpt_? 66.52 53.89 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -113.83 151.38 32.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.461 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 11.4 tppt? -65.81 107.07 1.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.489 HG12 ' HB3' ' A' ' 49' ' ' CYS . 9.3 m -103.06 -35.52 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.123 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.6 -105.2 0.1 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -79.16 -34.0 43.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.4 p -81.94 36.62 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -88.12 165.27 34.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.599 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.2 t80 -137.51 121.42 17.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.916 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -95.04 113.56 25.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.409 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 23.5 t -84.99 166.33 16.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -67.82 -33.36 74.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.8 p -62.83 -7.7 5.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.64 43.08 7.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.45 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -133.11 172.46 12.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.46 HD11 HG21 ' A' ' 35' ' ' VAL . 23.0 tp -115.33 140.0 49.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.689 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 61.4 m-85 -138.89 153.75 48.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.496 ' O ' HD12 ' A' ' 51' ' ' LEU . 27.5 p -82.15 22.96 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.26 -33.21 2.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 49' ' ' CYS . 6.1 mp -73.27 -18.86 61.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.33 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -118.74 -10.12 10.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.816 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.599 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 23.3 ptt180 -37.1 -51.41 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.488 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 42.2 m-85 -39.96 154.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.415 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 3.7 p -81.45 -27.28 34.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.888 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -95.57 18.07 13.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.488 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 48.2 mmtt -110.62 -43.53 3.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.689 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 7.2 p-80 -111.67 18.84 18.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.4 m120 56.08 51.3 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 32.2 t -53.22 120.5 20.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.598 0.713 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.419 ' O ' ' O ' ' A' ' 62' ' ' TYR . 54.2 Cg_endo -69.74 -30.65 22.02 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.384 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.419 ' O ' ' O ' ' A' ' 61' ' ' PRO . 0.2 OUTLIER -44.96 171.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.2 mtt-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.81 0.338 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 19.6 t -48.38 149.94 1.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.637 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -98.75 4.56 47.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.1 tpp -117.82 -47.63 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.7 p -106.65 -17.98 14.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 14.2 mmt180 67.0 54.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.465 ' O ' HG13 ' A' ' 35' ' ' VAL . 59.6 tttt -113.76 144.3 43.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -60.07 108.2 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 33' ' ' LYS . 10.6 m -102.12 -39.81 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.424 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 52.41 -100.77 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.529 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.414 ' N ' HD22 ' A' ' 37' ' ' LEU . 2.9 mm? -85.07 -31.87 23.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.875 0.369 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.0 p -83.32 36.05 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.17 157.44 30.6 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.6 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 0.8 OUTLIER -129.72 119.82 24.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.903 0.383 . . . . 0.0 110.886 -179.897 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -93.3 111.09 22.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.453 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 21.1 t -82.03 167.73 18.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -70.32 -29.28 65.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 31.3 p -68.44 -0.77 5.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.83 46.08 9.94 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -135.13 170.89 15.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 27.7 tp -114.63 137.33 52.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.691 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 67.0 m-85 -135.65 154.41 51.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 1.03 ' SG ' HD12 ' A' ' 51' ' ' LEU . 30.2 p -84.09 23.16 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.63 -29.19 2.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 1.03 HD12 ' SG ' ' A' ' 49' ' ' CYS . 4.9 mt -73.32 -24.64 60.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 53' ' ' ARG . 99.1 m-70 -117.74 -5.68 11.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.6 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 28.7 ptt85 -37.46 -49.03 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.491 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 43.7 m-85 -44.2 152.7 0.17 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.434 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 7.1 p -78.6 -31.13 46.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -91.15 19.41 5.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.491 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 54.5 mmtt -112.8 -41.57 3.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.691 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 7.0 p-80 -113.15 18.92 17.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.2 m120 56.46 50.37 13.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 32.7 t -53.71 120.89 24.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.655 0.74 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -32.43 18.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.724 2.283 . . . . 0.0 112.336 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.21 168.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.913 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.503 ' O ' HD23 ' A' ' 47' ' ' LEU . 20.3 mtt180 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.887 0.375 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.7 t -50.56 152.48 1.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.598 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -101.34 1.18 38.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.401 ' SD ' ' O ' ' A' ' 30' ' ' MET . 1.3 tpp -114.88 -46.62 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.6 p -106.47 -17.94 14.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? 64.14 54.6 1.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.526 ' O ' HG13 ' A' ' 35' ' ' VAL . 7.8 ttpp -117.59 146.45 43.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.485 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -53.86 118.76 4.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.824 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 33' ' ' LYS . 3.0 m -116.16 -41.55 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.438 ' N ' ' CG2' ' A' ' 35' ' ' VAL . . . 63.14 -113.0 5.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.544 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.1 mp -84.48 -32.44 23.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.939 0.399 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.8 p -67.76 -3.25 8.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.427 ' HA3' HD11 ' A' ' 47' ' ' LEU . . . -51.59 166.82 0.77 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.594 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.4 t80 -134.99 117.78 16.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.358 . . . . 0.0 110.886 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.73 108.14 19.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.2 t -82.13 166.4 19.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -67.99 -33.19 74.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.424 ' HA ' ' CD1' ' A' ' 62' ' ' TYR . 31.4 p -63.73 -6.84 6.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.93 43.93 6.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 -133.03 167.11 20.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 27' ' ' ARG . 19.8 tp -115.29 131.7 56.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.727 ' CE2' ' CG ' ' A' ' 58' ' ' HIS . 45.1 m-85 -130.98 155.32 47.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.444 ' O ' HD12 ' A' ' 51' ' ' LEU . 26.7 p -80.79 19.76 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.94 -30.48 3.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.456 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 49' ' ' CYS . 5.2 mp -75.9 -21.11 57.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 53' ' ' ARG . 96.6 m-70 -115.09 -11.37 12.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.594 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 24.0 ptt180 -36.38 -49.38 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.522 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 46.5 m-85 -41.66 156.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.414 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 8.2 p -78.24 -38.22 43.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.85 19.99 2.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.522 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 19.5 mmtp -113.25 -42.21 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.727 ' CG ' ' CE2' ' A' ' 48' ' ' PHE . 5.8 p-80 -115.31 18.63 16.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.809 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.0 m120 55.5 51.5 12.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.414 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 32.2 t -52.41 118.55 12.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.607 0.718 . . . . 0.0 110.852 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.1 Cg_endo -69.82 -28.89 24.41 Favored 'Trans proline' 0 C--O 1.231 0.131 0 C-N-CA 122.69 2.26 . . . . 0.0 112.311 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.424 ' CD1' ' HA ' ' A' ' 44' ' ' CYS . 0.1 OUTLIER -46.83 175.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.891 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.3 mtt180 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.864 0.364 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 17.7 t -45.41 148.88 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.63 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -99.53 2.47 44.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -114.02 -45.89 3.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.1 p -108.24 -20.46 13.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.426 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 12.2 mmm180 68.4 53.34 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.56 ' O ' HG13 ' A' ' 35' ' ' VAL . 7.1 ttpt -118.44 137.79 52.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.91 118.49 2.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.56 HG13 ' O ' ' A' ' 33' ' ' LYS . 5.8 m -114.06 -38.1 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.36 -108.45 0.31 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.548 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.52 -36.21 65.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.908 0.385 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.8 p -81.7 36.61 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -91.06 157.48 25.08 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.616 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.2 t80 -129.67 126.98 39.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.359 . . . . 0.0 110.884 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -100.0 112.14 24.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.818 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.42 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 22.8 t -82.98 167.4 17.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 60.3 mmt-85 -70.53 -33.16 70.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.804 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.0 p -63.41 -6.79 5.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.25 43.97 6.82 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -133.55 169.76 16.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.449 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 52.7 tp -112.46 141.11 46.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.691 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 63.8 m-85 -141.13 152.45 44.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.466 ' HB3' HG12 ' A' ' 35' ' ' VAL . 27.4 p -82.08 23.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.0 -32.74 2.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.467 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 49' ' ' CYS . 6.9 mp -73.23 -21.07 60.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.85 0.357 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -117.69 -8.81 10.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.616 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 22.6 ptt180 -37.86 -50.05 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.482 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 51.4 m-85 -40.82 155.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.423 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 6.5 p -80.59 -30.39 36.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.836 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -93.45 20.0 7.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.482 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 33.0 mmtm -113.08 -38.5 4.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.691 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.9 p-80 -117.35 18.69 14.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 55.99 52.13 11.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.423 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 31.9 t -53.83 120.51 23.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.649 0.737 . . . . 0.0 110.832 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' A' ' 62' ' ' TYR . 54.2 Cg_endo -69.76 -28.36 25.33 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.636 2.224 . . . . 0.0 112.392 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.428 ' O ' ' O ' ' A' ' 61' ' ' PRO . 0.2 OUTLIER -46.03 174.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.5 mtt-85 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.855 0.36 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 20.2 t -49.21 148.68 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.643 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -97.2 5.21 50.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.6 tpp -119.57 -46.8 2.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.8 p -106.66 -17.05 14.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 0.6 OUTLIER 65.35 54.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.853 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.472 ' O ' HG13 ' A' ' 35' ' ' VAL . 36.0 tttp -112.9 143.14 44.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.39 106.45 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.487 HG12 ' CB ' ' A' ' 49' ' ' CYS . 14.3 m -100.12 -39.16 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.069 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.406 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 52.27 -99.96 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -87.21 -29.86 21.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.904 0.383 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 79.1 p -83.22 32.68 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.0 156.99 38.7 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.52 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.599 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -131.38 121.57 24.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.915 -179.886 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -94.23 115.59 27.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.806 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.473 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 19.8 t -86.07 168.16 14.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 62.9 mmt-85 -68.85 -28.91 67.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.1 p -69.24 -0.82 6.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.2 45.48 11.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.523 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -134.28 173.07 12.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.827 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.45 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 33.4 tp -114.73 140.22 49.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.943 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.689 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 70.5 m-85 -138.31 154.73 49.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.885 ' SG ' HD12 ' A' ' 51' ' ' LEU . 31.3 p -84.41 24.26 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.58 -31.42 2.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.885 HD12 ' SG ' ' A' ' 49' ' ' CYS . 7.2 mt -71.69 -24.12 61.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.89 0.376 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -119.45 -2.9 10.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.599 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 28.5 ptt180 -38.58 -43.87 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.481 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 46.0 m-85 -48.07 178.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.417 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 15.8 p -96.65 -56.71 2.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -65.72 -3.9 5.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.481 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 28.0 mmtt -84.11 -45.12 13.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.689 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.3 p-80 -114.41 18.8 16.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.6 m120 55.42 52.52 11.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 33.2 t -53.81 121.76 30.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.662 0.744 . . . . 0.0 110.845 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.9 Cg_endo -69.77 -34.33 14.76 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.379 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.406 ' O ' ' O ' ' A' ' 61' ' ' PRO . 0.1 OUTLIER -45.55 172.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.1 t0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.855 179.896 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.867 0.365 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.412 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 18.9 t -44.35 152.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.632 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -99.7 3.63 45.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.9 tpp -118.97 -46.14 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.424 ' C ' ' HD3' ' A' ' 32' ' ' ARG . 31.8 p -108.13 -15.21 14.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.424 ' HD3' ' C ' ' A' ' 31' ' ' CYS . 2.9 mpp_? 61.97 54.95 2.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.502 ' O ' HG13 ' A' ' 35' ' ' VAL . 24.4 tttp -113.33 144.2 43.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -55.38 108.28 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 33' ' ' LYS . 10.4 m -100.59 -42.9 10.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.489 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 68.13 -107.19 1.96 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tt -94.6 -34.49 12.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.94 0.4 . . . . 0.0 110.925 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.9 p -63.5 -4.3 2.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -41.36 159.88 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.439 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.603 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.2 t80 -133.39 113.78 12.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -87.74 115.54 25.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.408 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 24.7 t -87.66 166.69 14.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -64.63 -33.11 75.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.8 p -65.94 -4.36 6.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.1 45.46 8.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.458 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.404 ' ND2' ' CE2' ' A' ' 29' ' ' PHE . 42.6 m-20 -131.83 171.21 13.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.448 HD11 HG21 ' A' ' 35' ' ' VAL . 20.1 tp -115.86 131.81 56.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.716 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 66.7 m-85 -130.22 154.77 47.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.92 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.951 ' SG ' HD12 ' A' ' 51' ' ' LEU . 30.8 p -83.69 23.7 0.95 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.67 -29.9 2.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.449 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.951 HD12 ' SG ' ' A' ' 49' ' ' CYS . 5.4 mt -73.11 -23.77 60.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' ARG . 98.4 m-70 -118.29 -6.77 10.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.603 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 24.4 ptt180 -36.39 -48.56 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.488 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 37.5 m-85 -43.97 156.24 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.408 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 2.8 p -81.23 -31.32 33.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -92.11 19.56 6.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.488 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 57.5 mmtt -112.5 -38.82 4.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.716 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.7 p-80 -115.62 18.5 15.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 56.29 50.44 13.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.408 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 30.6 t -51.6 120.07 14.69 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.622 0.725 . . . . 0.0 110.867 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -31.03 21.14 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.322 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -44.99 168.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.433 ' O ' HD23 ' A' ' 47' ' ' LEU . 20.9 mtt180 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.837 0.351 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 16.6 t -50.49 150.53 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.622 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.65 1.82 40.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.482 ' CE ' ' HA ' ' A' ' 58' ' ' HIS . 0.5 OUTLIER -114.86 -43.57 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.5 p -108.8 -19.81 13.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.9 mmm-85 68.26 54.79 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.3 tttt -117.6 149.14 41.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -62.52 107.13 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.511 HG23 ' N ' ' A' ' 36' ' ' GLY . 11.2 m -94.22 -44.47 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.511 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 67.76 -103.65 1.01 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.457 HD22 ' HA ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -94.54 -34.53 12.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.924 0.393 . . . . 0.0 110.897 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.3 p -67.85 -0.41 4.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.179 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -49.56 166.45 0.34 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.594 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.0 OUTLIER -142.49 121.76 13.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.866 -179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.31 114.57 26.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.4 t -85.63 166.38 16.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.453 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . 25.9 mmt-85 -65.79 -33.82 76.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.2 p -65.45 -5.23 7.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.08 44.43 7.61 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.433 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -131.66 167.96 18.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.868 0.366 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.525 HD12 ' H ' ' A' ' 40' ' ' PHE . 24.0 tp -113.89 135.4 54.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.685 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 51.5 m-85 -135.98 155.81 49.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.486 ' O ' HD12 ' A' ' 51' ' ' LEU . 26.5 p -80.08 21.73 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.32 -34.53 2.44 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 49' ' ' CYS . 6.4 mp -73.65 -18.03 61.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.904 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 54' ' ' TYR . 93.5 m-70 -116.82 -13.59 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.594 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 14.9 ptt180 -39.76 -27.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.584 ' CD2' ' HG3' ' A' ' 57' ' ' LYS . 0.9 OUTLIER -59.01 152.92 18.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.814 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.408 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 14.5 p -76.68 -34.26 58.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -89.58 15.48 9.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.834 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.584 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 38.1 mmtt -107.29 -50.46 3.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.685 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.9 p-80 -107.32 18.82 21.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.4 m120 55.8 48.17 18.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.416 ' HB2' ' NE2' ' A' ' 58' ' ' HIS . 34.1 t -48.73 118.92 7.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.628 0.728 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -33.58 16.42 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.737 2.291 . . . . 0.0 112.371 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -44.42 168.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.906 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.7 t0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 179.918 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.2 mtt85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.898 0.38 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 19.6 t -43.68 149.83 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.629 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -99.2 4.23 46.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.838 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.3 tpp -116.39 -46.7 2.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.0 p -108.27 -19.12 13.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 16.0 mmm180 68.64 54.9 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.5 ' O ' HG13 ' A' ' 35' ' ' VAL . 9.1 ttpp -114.21 141.57 47.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.68 108.8 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.5 HG13 ' O ' ' A' ' 33' ' ' LYS . 6.3 m -102.54 -39.42 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.151 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.417 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 51.55 -98.35 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.7 mt -86.26 -31.05 21.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.859 0.362 . . . . 0.0 110.927 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.5 p -83.62 32.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.43 157.58 36.66 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.461 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.598 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.0 OUTLIER -132.14 120.29 22.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.834 0.35 . . . . 0.0 110.933 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -94.29 113.11 24.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.432 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 23.0 t -84.64 166.99 16.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.1 mmp_? -68.11 -31.22 70.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.0 p -65.23 -5.37 6.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.99 44.09 7.85 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -133.97 172.24 13.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.451 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 28.5 tp -114.37 140.91 48.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.702 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 72.2 m-85 -138.66 153.31 48.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.942 ' SG ' HD12 ' A' ' 51' ' ' LEU . 31.3 p -83.88 23.16 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.89 -29.14 2.42 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.942 HD12 ' SG ' ' A' ' 49' ' ' CYS . 7.5 mt -73.32 -24.79 60.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.847 0.356 . . . . 0.0 110.944 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -118.67 -3.97 10.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.598 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 32.5 ptt180 -38.79 -48.15 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.484 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 48.0 m-85 -44.25 156.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.427 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 5.0 p -81.32 -33.53 32.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.802 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -89.67 18.04 5.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.484 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 59.4 mmtt -110.6 -41.88 4.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.702 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.9 p-80 -112.73 19.13 17.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 56.15 51.28 12.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.427 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 32.8 t -53.73 120.6 23.75 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.646 0.736 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.415 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.7 Cg_endo -69.76 -30.92 21.48 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.415 ' O ' ' O ' ' A' ' 61' ' ' PRO . 0.1 OUTLIER -45.43 172.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.841 0.353 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.424 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 18.9 t -45.11 150.79 0.38 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.644 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -99.78 5.05 45.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.421 ' CE ' ' HA ' ' A' ' 58' ' ' HIS . 1.5 tpp -118.93 -44.43 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.2 p -110.5 -17.51 13.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 16.1 mmt180 66.94 55.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.438 ' O ' HG13 ' A' ' 35' ' ' VAL . 30.2 tttt -117.9 130.72 56.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -49.05 113.86 0.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.708 HG21 HD11 ' A' ' 47' ' ' LEU . 3.6 m -104.58 -44.08 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.479 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 69.13 -107.51 2.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tp -89.16 -35.51 16.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.9 0.381 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 24.3 p -69.1 1.09 3.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -51.7 166.1 0.93 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.458 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.606 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.2 t80 -136.56 114.1 10.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.886 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -88.7 113.95 24.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.435 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 23.3 t -84.57 167.53 16.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.844 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.457 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . 20.8 mmt180 -68.56 -29.98 68.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.3 p -68.33 -1.44 6.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.47 45.75 9.47 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.509 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -133.74 169.83 16.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.859 0.361 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.708 HD11 HG21 ' A' ' 35' ' ' VAL . 18.3 tp -113.92 136.57 52.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.693 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 69.0 m-85 -135.53 153.44 51.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.474 ' HB3' HG12 ' A' ' 35' ' ' VAL . 31.3 p -84.15 22.93 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.07 -28.31 2.59 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.51 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.5 mt -73.34 -25.72 60.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.821 0.343 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -118.7 -2.2 10.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.606 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 35.3 ptt85 -39.67 -47.91 2.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.49 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 40.9 m-85 -43.37 160.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.428 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 3.5 p -84.09 -33.48 24.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.818 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -90.37 18.32 6.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.49 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 24.3 mmtp -110.71 -39.75 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.693 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.8 p-80 -115.54 18.95 15.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 56.54 50.06 13.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.428 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 33.7 t -52.86 120.14 18.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.668 0.747 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.7 Cg_endo -69.74 -32.44 18.65 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.698 2.266 . . . . 0.0 112.33 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.457 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -44.37 169.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.849 179.922 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.5 t -45.08 152.3 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.639 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.99 2.15 40.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.41 ' SD ' ' O ' ' A' ' 30' ' ' MET . 1.6 tpp -117.04 -44.33 2.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.0 p -108.17 -16.79 14.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 63.12 54.94 2.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.502 ' O ' HG13 ' A' ' 35' ' ' VAL . 42.0 tttt -119.95 133.57 55.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -47.32 119.81 2.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 33' ' ' LYS . 5.9 m -112.85 -36.3 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.59 -109.13 0.83 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.447 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -77.54 -30.66 52.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.874 0.368 . . . . 0.0 110.915 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.6 p -82.75 32.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.73 151.75 25.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.531 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.597 ' CD1' ' HB2' ' A' ' 53' ' ' ARG . 0.6 OUTLIER -126.71 119.34 26.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 0.0 110.887 -179.848 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -95.15 116.98 29.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.8 t -89.26 165.57 14.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.412 ' NE ' ' HA ' ' A' ' 43' ' ' ARG . 11.3 mmp_? -64.91 -34.74 79.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.449 ' HA ' ' CD1' ' A' ' 62' ' ' TYR . 29.2 p -61.71 -8.58 4.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.44 42.09 7.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.455 ' ND2' ' CE2' ' A' ' 29' ' ' PHE . 34.4 m-20 -130.25 168.67 16.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.38 . . . . 0.0 110.87 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.46 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 42.0 tp -113.98 137.55 51.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.711 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 66.2 m-85 -135.32 152.78 51.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.462 ' HB3' HG12 ' A' ' 35' ' ' VAL . 29.0 p -83.54 26.24 0.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.4 -38.31 2.44 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.473 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 mp -69.28 -18.92 63.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.838 0.352 . . . . 0.0 110.932 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -120.98 -4.83 9.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.597 ' HB2' ' CD1' ' A' ' 40' ' ' PHE . 28.3 ptt180 -39.02 -48.24 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.489 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 55.5 m-85 -45.11 172.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.483 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 0.7 OUTLIER -90.78 -49.86 6.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.887 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -73.57 4.94 4.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.489 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 29.6 mmtt -96.04 -31.45 13.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.711 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 5.5 p-80 -126.12 18.71 7.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 55.33 49.03 17.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.483 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 24.6 t -45.16 118.62 3.8 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.613 0.721 . . . . 0.0 110.925 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.8 Cg_endo -69.72 -25.84 28.37 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.375 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.449 ' CD1' ' HA ' ' A' ' 44' ' ' CYS . 0.2 OUTLIER -50.93 -173.92 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.8 mtt-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.896 0.379 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.421 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 18.9 t -48.65 150.42 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.637 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -98.49 4.4 48.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.6 tpp -118.87 -45.66 2.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.9 p -106.35 -18.9 13.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.0 mmm-85 68.25 47.17 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.463 ' HG2' ' N ' ' A' ' 34' ' ' LYS . 32.5 tttp -105.71 151.31 24.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.463 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -65.28 111.91 3.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.847 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.434 HG23 ' N ' ' A' ' 36' ' ' GLY . 7.9 m -105.09 -40.91 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.156 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.434 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 50.74 -95.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.76 -31.47 17.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.842 0.353 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.3 p -82.67 32.86 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.136 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.06 153.1 32.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.596 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -127.6 119.76 26.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 110.887 -179.877 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -93.34 113.79 26.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.412 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 24.5 t -85.24 167.17 15.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.424 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . 47.8 mmt-85 -67.9 -31.21 70.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.7 p -67.31 -2.27 5.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.62 46.55 8.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.531 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -134.25 168.91 18.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 0.0 110.962 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.451 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 28.2 tp -113.94 134.97 54.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.715 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 65.8 m-85 -133.15 155.79 48.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 1.02 ' SG ' HD12 ' A' ' 51' ' ' LEU . 30.6 p -84.64 23.88 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.36 -28.72 2.3 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 1.02 HD12 ' SG ' ' A' ' 49' ' ' CYS . 5.0 mt -74.4 -24.91 59.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -117.32 -4.55 11.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.596 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 23.5 ptt180 -39.09 -47.85 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.836 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.491 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 44.3 m-85 -44.79 156.11 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.421 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 6.3 p -80.8 -32.63 35.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -90.37 19.16 5.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.491 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 12.1 mmtp -111.98 -42.6 3.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.715 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.8 p-80 -112.34 18.43 18.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 56.73 50.28 12.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.421 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 32.2 t -53.0 120.75 20.5 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.603 0.716 . . . . 0.0 110.923 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -32.02 19.36 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.347 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.424 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -45.64 168.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.933 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.884 0.374 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.9 t -42.74 151.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.612 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -101.36 2.26 39.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.514 ' HG2' ' CD2' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -118.0 -38.09 3.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.862 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.5 p -113.8 -18.12 11.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 64.45 54.87 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.44 ' O ' HG13 ' A' ' 35' ' ' VAL . 28.0 tttm -121.49 135.94 54.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -50.78 114.13 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.509 HG12 ' HB3' ' A' ' 49' ' ' CYS . 6.1 m -103.95 -35.65 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 54.23 -109.8 1.31 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.22 -29.38 42.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.858 0.361 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.6 p -83.37 31.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.54 156.62 33.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.599 ' CZ ' ' HD2' ' A' ' 53' ' ' ARG . 1.0 OUTLIER -131.2 120.55 23.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.892 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -95.93 112.27 24.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.3 t -84.2 167.22 16.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.462 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . 13.8 mmm-85 -68.84 -30.88 69.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 46' ' ' ASN . 24.9 p -68.23 -0.4 4.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.19 47.33 9.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.498 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.468 ' ND2' ' CE2' ' A' ' 29' ' ' PHE . 33.2 m-20 -134.44 167.1 21.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.504 HD11 HG21 ' A' ' 35' ' ' VAL . 38.5 tp -113.73 136.79 52.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.672 ' CE2' ' CG ' ' A' ' 58' ' ' HIS . 57.1 m-85 -136.61 151.46 49.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.509 ' HB3' HG12 ' A' ' 35' ' ' VAL . 28.1 p -80.62 19.13 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.24 -29.18 3.98 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 mp -75.87 -22.94 55.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.832 0.349 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.514 ' CD2' ' HG2' ' A' ' 30' ' ' MET . 99.1 m-70 -117.98 -6.83 10.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.599 ' HD2' ' CZ ' ' A' ' 40' ' ' PHE . 19.6 ptt85 -39.57 -51.79 2.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.494 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 35.3 m-85 -38.52 155.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.43 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 66.0 p -79.34 -31.81 43.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -91.96 18.88 7.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.494 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 40.8 mmtm -114.98 -35.51 4.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.672 ' CG ' ' CE2' ' A' ' 48' ' ' PHE . 5.8 p-80 -119.08 17.01 13.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.0 m120 55.94 54.24 8.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 32.9 t -56.15 117.63 17.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.657 0.741 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.6 Cg_endo -69.84 -33.02 17.12 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.667 2.245 . . . . 0.0 112.318 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.462 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -45.7 172.92 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.945 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.874 179.912 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.667 ' O ' HD23 ' A' ' 47' ' ' LEU . 19.1 mtt180 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.904 0.383 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.418 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 17.0 t -47.7 151.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.613 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.7 2.4 41.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -115.32 -47.23 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 32' ' ' ARG . 31.8 p -106.48 -18.04 14.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER 65.59 54.92 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.478 ' O ' HG13 ' A' ' 35' ' ' VAL . 28.7 tttm -116.54 140.72 49.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -55.94 107.43 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 33' ' ' LYS . 19.8 m -99.1 -38.09 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 54.6 -110.19 1.53 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.534 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.4 mt -79.58 -28.42 41.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.909 0.385 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 24.1 p -85.62 33.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.57 168.5 42.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.603 ' CZ ' ' HD2' ' A' ' 53' ' ' ARG . 1.1 t80 -141.46 124.72 16.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.872 0.368 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -98.58 114.38 26.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.421 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 23.2 t -85.34 166.75 16.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.517 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . 23.1 mmt180 -69.4 -28.71 66.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.3 p -69.27 -1.17 7.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.29 46.78 8.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.446 ' ND2' ' CE2' ' A' ' 29' ' ' PHE . 36.5 m-20 -137.06 168.34 19.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.876 0.369 . . . . 0.0 110.862 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.667 HD23 ' O ' ' A' ' 27' ' ' ARG . 20.3 tp -112.33 140.59 46.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.685 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 64.7 m-85 -138.92 153.39 48.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.459 ' HB3' HG12 ' A' ' 35' ' ' VAL . 28.2 p -82.59 23.64 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.37 -32.34 2.33 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 49' ' ' CYS . 5.3 mp -72.81 -22.9 60.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.457 ' O ' ' C ' ' A' ' 53' ' ' ARG . 98.4 m-70 -115.82 -12.86 11.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.603 ' HD2' ' CZ ' ' A' ' 40' ' ' PHE . 21.7 ptt180 -33.97 -48.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.525 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 62.8 m-85 -45.74 150.07 0.56 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.455 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 16.7 p -74.46 -38.32 62.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -85.5 20.39 2.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.525 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 2.4 mmmp? -114.53 -37.94 4.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.685 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 7.1 p-80 -118.61 21.2 12.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 54.36 50.6 15.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.455 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 38.2 t -53.84 121.32 27.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.635 0.731 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -32.37 18.58 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.656 2.237 . . . . 0.0 112.347 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.517 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -44.32 167.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.949 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 179.932 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.842 0.353 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.424 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 17.5 t -47.29 152.67 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.623 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -101.0 2.91 41.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -117.13 -44.95 2.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.0 p -110.25 -15.77 13.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 1.6 mpt_? 63.86 54.9 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.488 ' O ' HG13 ' A' ' 35' ' ' VAL . 30.7 tttp -113.26 141.59 46.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -56.38 108.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.583 HG21 HD11 ' A' ' 47' ' ' LEU . 3.6 m -101.48 -26.7 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 43.74 -92.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 35' ' ' VAL . 7.3 mp -98.06 -27.95 13.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.917 0.389 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 35' ' ' VAL . 58.1 p -82.31 36.53 0.47 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.1 164.04 40.16 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.597 ' CZ ' ' HD2' ' A' ' 53' ' ' ARG . 1.2 t80 -139.77 116.34 10.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -91.01 113.62 25.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.405 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 23.9 t -85.52 166.65 16.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -66.39 -33.28 75.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 31.5 p -64.38 -5.68 5.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.93 44.72 7.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.463 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -132.62 169.64 16.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 0.0 110.828 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.583 HD11 HG21 ' A' ' 35' ' ' VAL . 19.5 tp -113.44 135.48 53.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.721 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 71.9 m-85 -134.14 152.42 51.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.509 ' HB3' HG12 ' A' ' 35' ' ' VAL . 30.5 p -83.17 22.72 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.38 -28.62 2.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.7 mt -73.25 -25.27 60.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 53' ' ' ARG . 95.8 m-70 -118.68 -4.77 10.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.597 ' HD2' ' CZ ' ' A' ' 40' ' ' PHE . 27.7 ptt85 -37.72 -47.92 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.481 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 53.4 m-85 -43.29 160.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.409 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 4.6 p -83.73 -34.41 24.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.847 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -90.01 18.69 5.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.481 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 47.1 mmtt -110.54 -39.62 4.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.721 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.7 p-80 -116.2 18.63 15.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 56.64 50.67 12.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.409 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 31.9 t -52.95 119.08 15.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.614 0.721 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' A' ' 62' ' ' TYR . 54.3 Cg_endo -69.77 -30.81 21.66 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.661 2.241 . . . . 0.0 112.386 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.426 ' O ' ' O ' ' A' ' 61' ' ' PRO . 0.2 OUTLIER -44.76 171.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.462 ' O ' HD23 ' A' ' 47' ' ' LEU . 26.1 mtt180 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.861 0.363 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.7 t -49.55 151.89 1.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.632 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.58 4.09 43.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.482 ' HG2' ' CG ' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -119.73 -40.6 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.7 p -112.65 -16.89 12.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 64.07 54.49 1.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.486 ' O ' HG13 ' A' ' 35' ' ' VAL . 47.8 tttt -115.5 139.82 49.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -55.11 111.03 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.628 HG21 HD11 ' A' ' 47' ' ' LEU . 3.5 m -104.18 -43.24 8.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.471 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 55.78 -101.44 0.13 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.485 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.1 mt -84.64 -30.67 24.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.906 0.384 . . . . 0.0 110.898 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.1 p -84.08 32.3 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.51 159.06 38.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.605 ' CZ ' ' HD2' ' A' ' 53' ' ' ARG . 1.1 t80 -132.6 110.7 10.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.868 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 41' ' ' ASP . 3.3 p30 -89.22 113.66 24.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.3 t -86.55 166.19 15.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -66.14 -33.33 75.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 28.6 p -61.94 -8.47 5.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.64 42.7 7.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -131.84 169.19 16.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.886 0.374 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.628 HD11 HG21 ' A' ' 35' ' ' VAL . 18.4 tp -114.82 135.25 54.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.659 ' CE2' ' CG ' ' A' ' 58' ' ' HIS . 67.1 m-85 -133.54 151.61 51.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 1.019 ' SG ' HD12 ' A' ' 51' ' ' LEU . 31.4 p -82.99 21.44 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.05 -28.05 2.97 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 1.019 HD12 ' SG ' ' A' ' 49' ' ' CYS . 5.9 mt -74.17 -25.09 59.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.811 0.339 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.482 ' CG ' ' HG2' ' A' ' 30' ' ' MET . 96.5 m-70 -119.23 -3.94 10.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.605 ' HD2' ' CZ ' ' A' ' 40' ' ' PHE . 22.6 ptt180 -38.33 -49.0 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.494 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 33.6 m-85 -39.96 152.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.422 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 2.8 p -77.68 -29.5 51.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -94.7 20.0 9.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.494 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 39.2 mmtm -116.17 -30.13 6.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.659 ' CG ' ' CE2' ' A' ' 48' ' ' PHE . 4.8 p-80 -122.67 18.56 10.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.3 m120 54.57 53.22 11.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 28.4 t -52.48 116.64 9.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.722 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.423 ' O ' ' O ' ' A' ' 62' ' ' TYR . 54.3 Cg_endo -69.68 -26.95 27.46 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.423 ' O ' ' O ' ' A' ' 61' ' ' PRO . 0.2 OUTLIER -47.48 178.18 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.624 ' O ' HD23 ' A' ' 47' ' ' LEU . 12.3 mtt85 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.804 0.335 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.409 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 18.2 t -45.95 151.86 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.597 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.74 1.53 40.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.7 tpp -114.75 -46.97 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.6 p -106.85 -18.3 13.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? 64.86 54.91 1.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.52 ' O ' HG13 ' A' ' 35' ' ' VAL . 30.8 tttm -117.32 139.37 50.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -52.54 109.46 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.563 HG21 HD11 ' A' ' 47' ' ' LEU . 5.9 m -101.64 -41.35 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.452 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 63.86 -106.96 1.55 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -87.13 -33.9 19.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.938 0.399 . . . . 0.0 110.966 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.9 p -68.39 0.11 4.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -52.63 163.32 1.98 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.46 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.595 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.4 t80 -138.11 117.97 13.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 110.869 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -92.23 111.02 22.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.0 t -84.38 166.95 16.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -68.42 -33.44 74.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.464 ' HA ' ' CD1' ' A' ' 62' ' ' TYR . 31.5 p -62.57 -7.83 5.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.87 43.04 6.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 -133.16 170.66 15.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.624 HD23 ' O ' ' A' ' 27' ' ' ARG . 11.6 tp -117.24 135.48 53.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.718 ' CE2' ' CG ' ' A' ' 58' ' ' HIS . 48.8 m-85 -134.01 155.12 50.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.521 ' O ' HD12 ' A' ' 51' ' ' LEU . 26.6 p -81.85 22.95 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.82 -33.47 2.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 49' ' ' CYS . 5.8 mp -74.03 -19.45 60.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 53' ' ' ARG . 96.1 m-70 -116.49 -12.28 11.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.595 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 21.3 ptt85 -35.58 -52.97 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.496 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 35.0 m-85 -38.83 156.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.413 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 18.2 p -79.85 -34.26 39.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -90.08 18.69 5.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.496 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 36.1 mmtm -112.22 -39.4 4.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.718 ' CG ' ' CE2' ' A' ' 48' ' ' PHE . 5.8 p-80 -116.87 18.2 14.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.838 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 55.65 50.97 13.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.416 ' HB2' ' NE2' ' A' ' 58' ' ' HIS . 32.6 t -51.37 119.24 12.37 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.43 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.9 Cg_endo -69.72 -27.16 27.02 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.654 2.236 . . . . 0.0 112.37 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.464 ' CD1' ' HA ' ' A' ' 44' ' ' CYS . 0.3 OUTLIER -47.61 178.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.446 ' O ' HD23 ' A' ' 47' ' ' LEU . 18.7 mtt180 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.799 0.333 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.42 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 18.5 t -51.5 150.7 3.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.63 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -99.12 3.67 46.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.413 ' SD ' ' O ' ' A' ' 30' ' ' MET . 1.4 tpp -118.66 -44.53 2.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.0 p -108.18 -17.42 14.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 0.9 OUTLIER 65.48 54.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.415 ' O ' HG13 ' A' ' 35' ' ' VAL . 20.0 tttp -112.83 147.79 36.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.67 107.63 1.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.559 HG21 HD11 ' A' ' 47' ' ' LEU . 12.2 m -101.68 -39.52 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.41 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 50.15 -96.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.3 mt -88.28 -29.35 20.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.899 0.38 . . . . 0.0 110.925 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.7 p -85.07 33.47 0.54 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.62 157.13 35.76 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.533 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.589 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.1 t80 -131.65 119.77 21.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.868 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.57 111.56 23.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.407 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 23.6 t -83.66 166.99 17.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.464 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . 7.3 mmm180 -67.2 -31.55 72.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 32.1 p -66.18 -4.63 7.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.84 45.36 7.77 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.496 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -134.41 169.92 16.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.559 HD11 HG21 ' A' ' 35' ' ' VAL . 20.1 tp -113.36 137.79 51.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.698 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 70.4 m-85 -135.87 153.94 51.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.978 ' SG ' HD12 ' A' ' 51' ' ' LEU . 30.1 p -83.5 24.59 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.18 -29.58 2.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.506 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.978 HD12 ' SG ' ' A' ' 49' ' ' CYS . 6.1 mt -72.91 -25.97 61.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.857 0.36 . . . . 0.0 110.94 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -117.46 -3.99 11.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.589 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 33.6 ptt180 -38.3 -41.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.483 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 55.5 m-85 -48.98 -179.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.412 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 60.7 p -97.14 -55.56 2.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.821 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -0.55 4.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 29.8 mmtm -87.71 -45.98 9.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.698 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.2 p-80 -113.71 19.0 17.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 54.96 49.39 17.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.412 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 34.1 t -48.85 119.77 8.62 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.584 0.707 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.414 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.4 Cg_endo -69.82 -27.8 25.76 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.331 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.464 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -46.18 174.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.963 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.5 p -161.19 152.71 19.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 110.859 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 p -81.21 -37.44 28.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.34 88.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -122.78 109.45 14.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 0.0 110.852 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -148.48 164.21 34.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.853 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.545 ' HA2' ' C ' ' A' ' 8' ' ' PRO . . . -50.42 147.19 8.09 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.503 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.545 ' C ' ' HA2' ' A' ' 7' ' ' GLY . 54.0 Cg_endo -69.7 149.4 88.38 Favored 'Cis proline' 0 C--O 1.231 0.157 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.38 -0.026 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.2 p -80.53 -33.68 36.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.834 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.2 t -87.33 129.87 34.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.4 m -142.25 127.36 18.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -134.36 41.63 2.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.3 p -146.99 109.72 4.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.847 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -174.4 124.97 0.31 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -171.11 146.31 2.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -58.88 135.28 57.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.67 150.03 66.75 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.593 0.711 . . . . 0.0 111.078 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 19' ' ' GLU . 54.0 Cg_endo -69.78 135.45 30.44 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.669 2.246 . . . . 0.0 112.367 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 18' ' ' PRO . 59.9 mm-40 -37.69 156.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.823 HD22 ' C ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -48.25 152.77 1.42 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.559 0.695 . . . . 0.0 110.937 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.432 ' N ' HD22 ' A' ' 20' ' ' LEU . 53.9 Cg_endo -69.78 105.95 1.58 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.675 2.25 . . . . 0.0 112.32 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -50.15 155.94 1.52 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.574 0.702 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -15.88 37.42 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.9 -50.78 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.0 tptm 46.05 40.47 7.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 39.55 44.99 1.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -134.25 145.68 49.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 16.3 t -47.88 151.2 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.62 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -101.3 2.01 39.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.468 ' CE ' ' HA ' ' A' ' 58' ' ' HIS . 1.6 tpp -115.2 -42.91 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.448 ' C ' ' HD3' ' A' ' 32' ' ' ARG . 32.1 p -110.45 -16.57 13.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.448 ' HD3' ' C ' ' A' ' 31' ' ' CYS . 0.8 OUTLIER 64.2 54.66 1.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.554 ' O ' HG13 ' A' ' 35' ' ' VAL . 6.6 ttmm -117.81 148.07 42.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.463 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -59.58 111.72 1.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 33' ' ' LYS . 4.5 m -111.23 -31.69 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.178 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.84 -105.66 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 mt -76.15 -31.87 58.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.875 0.369 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 35' ' ' VAL . 80.7 p -82.68 33.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.4 165.33 37.17 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.455 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.59 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.5 t80 -139.06 118.95 13.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -91.47 113.4 25.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.825 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.415 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 24.2 t -85.36 166.37 16.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.47 ' HG3' ' CD2' ' A' ' 64' ' ' TYR . 20.3 mmt180 -66.89 -31.34 71.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 31.1 p -67.25 -2.96 6.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.88 45.11 8.6 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.401 ' ND2' ' CE2' ' A' ' 29' ' ' PHE . 40.7 m-20 -133.5 170.64 15.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.855 0.359 . . . . 0.0 110.867 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.48 HD12 ' H ' ' A' ' 40' ' ' PHE . 26.5 tp -114.8 137.53 51.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.71 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 60.5 m-85 -137.04 153.53 50.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.545 ' HB3' HG12 ' A' ' 35' ' ' VAL . 28.0 p -81.12 20.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.48 -31.26 2.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.7 mp -74.04 -20.83 60.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -118.14 -8.52 10.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.59 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 22.1 ptt85 -37.66 -50.8 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.489 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 47.8 m-85 -39.88 158.15 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.402 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 3.3 p -83.16 -29.18 28.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.56 19.04 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.821 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.489 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 31.5 mmtm -110.77 -42.14 4.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.71 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 7.0 p-80 -114.25 18.98 16.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.0 m120 56.31 50.91 12.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.402 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 31.7 t -52.59 120.84 19.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.629 0.728 . . . . 0.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.424 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.4 Cg_endo -69.74 -31.68 20.12 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.695 2.264 . . . . 0.0 112.338 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -45.15 172.5 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -133.86 -3.57 2.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.47 ' CD2' ' HG3' ' A' ' 43' ' ' ARG . 0.6 OUTLIER -33.2 -34.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 -179.829 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 63' ' ' ASP . 9.7 ptmt -58.94 -50.12 75.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . -102.48 35.9 2.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -113.51 -61.09 1.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -101.68 140.62 35.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.6 m 42.54 37.16 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -143.05 76.94 0.29 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.461 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -4.13 13.42 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.641 2.227 . . . . 0.0 112.362 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 77.3 p -42.89 105.85 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.2 m -44.17 127.11 5.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.458 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.3 p -174.03 144.79 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.865 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 t -174.51 170.25 3.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.56 69.73 0.27 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -137.86 133.1 33.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.866 0.365 . . . . 0.0 110.865 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 m -164.84 124.53 1.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.799 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.29 -160.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.459 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 178.82 24.23 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.331 0.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.5 p -138.64 120.28 15.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.2 t -167.44 108.31 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.9 m -126.65 69.59 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -137.58 116.6 12.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.2 t -161.29 111.15 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -171.01 123.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -119.56 94.03 4.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -92.52 144.72 25.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -168.33 152.88 6.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.701 . . . . 0.0 111.089 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 116.08 4.4 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 2.243 . . . . 0.0 112.303 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -146.91 151.5 37.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.9 mt -120.24 155.4 56.0 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.561 0.696 . . . . 0.0 110.955 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 107.16 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.668 2.246 . . . . 0.0 112.336 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -133.58 116.66 13.97 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.538 0.685 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -33.17 16.92 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.7 2.266 . . . . 0.0 112.298 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.432 ' NZ ' ' HB2' ' A' ' 29' ' ' PHE . 27.1 mmmt -149.13 154.29 38.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.44 ' C ' ' CG ' ' A' ' 26' ' ' ASN . 3.0 mmmm -106.18 38.95 1.9 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.44 ' CG ' ' C ' ' A' ' 25' ' ' LYS . 1.1 p-10 47.7 42.74 15.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.503 ' O ' HD23 ' A' ' 47' ' ' LEU . 20.0 mtt180 -133.66 141.06 47.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.409 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 17.8 t -45.45 151.27 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.63 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -101.67 2.17 38.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.413 ' SD ' ' O ' ' A' ' 30' ' ' MET . 1.2 tpp -114.02 -45.88 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.8 p -109.3 -18.77 13.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? 65.73 55.02 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.573 ' O ' HG13 ' A' ' 35' ' ' VAL . 40.4 tttt -118.49 133.3 55.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -45.21 109.62 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.573 HG13 ' O ' ' A' ' 33' ' ' LYS . 8.3 m -103.48 -36.2 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 50.98 -112.86 1.85 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.6 mp -75.77 -28.95 58.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.859 0.361 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.8 p -83.35 29.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.08 163.67 41.72 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.482 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.597 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.4 t80 -137.47 117.88 13.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.862 0.363 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -92.84 111.64 23.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.2 t -84.3 166.25 17.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.585 ' HG3' ' CD2' ' A' ' 64' ' ' TYR . 1.4 mmp_? -68.35 -31.67 71.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.3 p -63.98 -6.49 6.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.75 43.23 7.35 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -134.58 170.31 15.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 27' ' ' ARG . 20.1 tp -115.04 140.23 49.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.7 ' CE2' ' CG ' ' A' ' 58' ' ' HIS . 60.1 m-85 -138.58 153.25 48.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.57 ' HB3' HG12 ' A' ' 35' ' ' VAL . 26.4 p -81.37 22.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.65 -30.98 2.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 49' ' ' CYS . 6.5 mp -75.72 -21.0 57.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.812 0.339 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -116.07 -10.54 11.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.597 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 23.9 ptt180 -37.27 -50.45 1.0 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.502 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 53.6 m-85 -39.81 158.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.917 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.41 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 5.2 p -81.13 -32.24 33.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.882 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -92.88 21.46 5.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.502 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 31.2 mmtm -114.99 -36.97 4.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.7 ' CG ' ' CE2' ' A' ' 48' ' ' PHE . 5.6 p-80 -119.66 18.77 12.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 55.28 50.9 14.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.41 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 29.2 t -50.87 118.96 10.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.676 0.75 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.423 ' O ' ' O ' ' A' ' 62' ' ' TYR . 54.0 Cg_endo -69.7 -30.12 23.06 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.718 2.279 . . . . 0.0 112.347 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.426 ' HD2' ' CD1' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -46.47 175.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.955 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -129.29 -12.07 4.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.585 ' CD2' ' HG3' ' A' ' 43' ' ' ARG . 0.3 OUTLIER -36.28 -29.67 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.838 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' A' ' 63' ' ' ASP . 12.2 ptpt -47.9 -47.53 32.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.95 -46.9 6.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -43.47 -43.33 5.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.72 166.88 22.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 72.5 m -78.9 109.34 13.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 178.55 -140.99 4.78 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 139.12 39.47 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.709 2.273 . . . . 0.0 112.364 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 92.1 p -102.82 44.05 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.823 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.7 m -149.35 124.64 10.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.509 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 t -172.19 133.64 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.841 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t -167.3 171.6 10.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.71 145.2 4.13 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.462 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 p -171.44 105.61 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 0.0 110.818 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 p -160.13 134.35 7.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.843 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.85 -172.74 0.25 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 150.85 91.03 Favored 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.327 0.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.0 p -138.84 107.27 5.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.3 t -172.64 105.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.3 p -154.75 110.0 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.84 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -173.73 122.04 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 m -170.94 106.04 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -165.54 131.37 2.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -141.79 136.29 30.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.18 152.27 38.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -135.15 135.93 23.75 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.586 0.708 . . . . 0.0 111.076 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 111.24 2.76 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.725 2.283 . . . . 0.0 112.302 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -117.91 147.63 42.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.86 156.13 90.06 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.66 0.743 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 168.65 20.95 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.694 2.262 . . . . 0.0 112.36 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.08 152.96 37.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.59 0.709 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -9.84 27.11 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.392 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -132.7 68.62 1.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -54.26 -67.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -132.64 45.31 2.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -132.47 139.27 47.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.417 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 17.3 t -47.5 152.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.619 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -101.61 2.42 38.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.412 ' SD ' ' O ' ' A' ' 30' ' ' MET . 1.5 tpp -115.05 -44.49 3.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.5 p -109.7 -19.05 13.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.0 mmt-85 67.65 54.39 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.507 ' O ' HG13 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -115.99 148.1 40.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.467 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 0.6 OUTLIER -60.55 110.89 1.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.856 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.514 HG12 ' HB3' ' A' ' 49' ' ' CYS . 6.9 m -109.07 -32.9 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 46.48 -112.06 0.8 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.453 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.9 mt -74.45 -27.77 60.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.914 0.387 . . . . 0.0 110.954 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.6 p -84.94 33.13 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.57 166.87 40.14 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.596 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.4 t80 -139.46 116.25 10.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.827 0.346 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.85 113.17 24.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.408 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 22.7 t -84.82 166.14 17.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.543 ' HG3' ' CD2' ' A' ' 64' ' ' TYR . 30.1 mmt180 -66.46 -32.15 73.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 32.0 p -65.78 -4.81 7.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.64 44.11 8.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.415 ' ND2' ' CE2' ' A' ' 29' ' ' PHE . 46.8 m-20 -132.57 171.36 13.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.372 . . . . 0.0 110.862 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.486 HD12 ' H ' ' A' ' 40' ' ' PHE . 24.7 tp -116.39 134.25 55.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.689 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 55.1 m-85 -133.62 154.32 50.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.514 ' HB3' HG12 ' A' ' 35' ' ' VAL . 27.4 p -81.58 22.81 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.5 -33.2 2.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.6 mp -73.24 -19.94 60.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.348 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 53' ' ' ARG . 46.1 m80 -117.55 -10.71 10.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.596 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 20.8 ptt85 -36.65 -50.58 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.481 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 40.0 m-85 -41.63 155.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.415 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 16.2 p -80.69 -29.91 36.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -93.07 19.21 8.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.481 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 56.1 mmtt -112.5 -39.67 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.689 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.3 p-80 -116.66 18.15 15.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.803 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.7 m120 56.22 51.7 11.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 29.8 t -53.23 120.76 21.8 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.605 0.717 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.7 Cg_endo -69.77 -30.84 21.59 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.712 2.275 . . . . 0.0 112.33 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.422 ' O ' ' O ' ' A' ' 61' ' ' PRO . 0.1 OUTLIER -45.3 172.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -133.44 -4.01 2.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.543 ' CD2' ' HG3' ' A' ' 43' ' ' ARG . 0.6 OUTLIER -34.71 -38.6 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.857 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -42.78 -51.63 5.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.884 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.35 -38.87 59.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.091 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -63.33 116.66 5.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -148.63 133.07 17.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 78.5 p -120.7 132.61 55.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 132.46 -96.26 0.31 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.464 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 150.32 68.02 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.671 2.247 . . . . 0.0 112.344 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.4 t -140.69 156.86 46.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.828 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.6 t -146.8 145.56 29.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.44 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.8 m -129.55 123.97 32.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.358 . . . . 0.0 110.835 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.1 p -157.09 124.95 5.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.29 171.87 28.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 m -119.52 174.12 6.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.872 0.367 . . . . 0.0 110.853 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 p -156.06 148.66 23.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.514 ' HA3' ' C ' ' A' ' 8' ' ' PRO . . . -61.06 -105.6 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.469 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.514 ' C ' ' HA3' ' A' ' 7' ' ' GLY . 53.1 Cg_endo -69.83 130.16 16.18 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.64 -1.817 . . . . 0.0 112.331 0.095 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.44 ' N ' ' HA3' ' A' ' 7' ' ' GLY . 46.8 p -112.1 85.16 2.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.6 t -167.24 112.58 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m -98.12 94.84 7.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -130.87 91.46 3.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 52.9 m -98.07 79.97 2.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -108.94 111.3 22.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.4 mp0 -150.64 125.52 9.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.39 177.79 3.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.37 154.99 70.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.589 0.709 . . . . 0.0 111.089 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 126.56 13.41 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.643 2.228 . . . . 0.0 112.329 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -124.12 146.72 48.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.3 mt -115.19 151.51 45.82 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.72 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 163.06 39.7 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.339 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.62 136.21 24.32 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.577 0.703 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -42.77 3.13 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.65 2.233 . . . . 0.0 112.341 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -122.3 -50.15 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 26' ' ' ASN . 31.4 tttp 66.99 46.57 1.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 25' ' ' LYS . 1.6 p-10 36.53 44.05 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.448 ' O ' HD23 ' A' ' 47' ' ' LEU . 16.4 mtt180 -132.75 142.15 48.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.423 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 17.5 t -46.17 150.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.623 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.34 3.15 43.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.1 tpp -115.21 -46.74 2.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.0 p -107.1 -17.7 14.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 3.9 mpt_? 66.52 53.89 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -113.83 151.38 32.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.461 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 11.4 tppt? -65.81 107.07 1.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.489 HG12 ' HB3' ' A' ' 49' ' ' CYS . 9.3 m -103.06 -35.52 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.123 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.6 -105.2 0.1 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -79.16 -34.0 43.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.4 p -81.94 36.62 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -88.12 165.27 34.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.599 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.2 t80 -137.51 121.42 17.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.916 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -95.04 113.56 25.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.409 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 23.5 t -84.99 166.33 16.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.577 ' HG3' ' CD2' ' A' ' 64' ' ' TYR . 17.9 mmt180 -67.82 -33.36 74.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.8 p -62.83 -7.7 5.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.64 43.08 7.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.45 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -133.11 172.46 12.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.46 HD11 HG21 ' A' ' 35' ' ' VAL . 23.0 tp -115.33 140.0 49.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.689 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 61.4 m-85 -138.89 153.75 48.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.496 ' O ' HD12 ' A' ' 51' ' ' LEU . 27.5 p -82.15 22.96 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.26 -33.21 2.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 49' ' ' CYS . 6.1 mp -73.27 -18.86 61.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.33 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -118.74 -10.12 10.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.816 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.599 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 23.3 ptt180 -37.1 -51.41 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.488 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 42.2 m-85 -39.96 154.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.415 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 3.7 p -81.45 -27.28 34.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.888 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -95.57 18.07 13.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.488 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 48.2 mmtt -110.62 -43.53 3.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.689 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 7.2 p-80 -111.67 18.84 18.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.4 m120 56.08 51.3 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 32.2 t -53.22 120.5 20.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.598 0.713 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.419 ' O ' ' O ' ' A' ' 62' ' ' TYR . 54.2 Cg_endo -69.74 -30.65 22.02 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.384 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.461 ' CD2' ' HB3' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -44.96 171.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.6 0.14 2.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.577 ' CD2' ' HG3' ' A' ' 43' ' ' ARG . 0.5 OUTLIER -39.29 -38.06 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.866 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 66' ' ' ALA . 7.1 pttm -52.11 -44.36 64.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.409 ' N ' ' HG3' ' A' ' 65' ' ' LYS . . . -108.54 37.07 2.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -106.61 -46.75 3.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.46 161.51 17.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.3 t -78.66 117.45 19.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -153.37 142.5 9.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 104.27 1.3 Allowed 'Trans proline' 0 C--O 1.231 0.125 0 C-N-CA 122.716 2.277 . . . . 0.0 112.31 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.9 m -134.18 121.92 22.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 97.2 p -113.04 124.85 53.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.152 -0.804 . . . . 0.0 112.495 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 t -102.77 159.15 15.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.904 0.383 . . . . 0.0 110.819 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.7 p -143.38 131.36 21.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.46 164.36 18.99 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.48 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.4 t -173.2 141.08 0.91 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.892 0.377 . . . . 0.0 110.826 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -169.31 143.79 2.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.896 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.16 -162.0 0.64 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 165.95 75.48 Favored 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.289 0.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.2 p -147.52 119.91 8.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.8 m -145.24 141.84 28.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.849 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.6 m -78.58 168.45 19.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -109.67 -46.49 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.1 t -164.88 125.14 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -131.35 40.0 3.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -118.05 129.38 55.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -150.32 170.89 17.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -106.26 151.9 40.34 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.576 0.703 . . . . 0.0 111.07 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 117.57 5.16 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.646 2.231 . . . . 0.0 112.343 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -46.83 121.6 3.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -53.47 157.16 3.72 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.594 0.711 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.78 144.12 52.91 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.366 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -135.66 123.18 14.93 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.589 0.709 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -39.44 6.55 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -132.93 99.33 4.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.441 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 12.2 ptpt -77.95 46.73 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 1.4 p-10 47.66 44.94 17.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.2 mtt-85 -131.48 145.63 51.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 19.6 t -48.38 149.94 1.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.637 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -98.75 4.56 47.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.1 tpp -117.82 -47.63 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.7 p -106.65 -17.98 14.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 14.2 mmt180 67.0 54.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.465 ' O ' HG13 ' A' ' 35' ' ' VAL . 59.6 tttt -113.76 144.3 43.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -60.07 108.2 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 33' ' ' LYS . 10.6 m -102.12 -39.81 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.424 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 52.41 -100.77 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.529 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.414 ' N ' HD22 ' A' ' 37' ' ' LEU . 2.9 mm? -85.07 -31.87 23.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.875 0.369 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.0 p -83.32 36.05 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.17 157.44 30.6 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.6 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 0.8 OUTLIER -129.72 119.82 24.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.903 0.383 . . . . 0.0 110.886 -179.897 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -93.3 111.09 22.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.453 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 21.1 t -82.03 167.73 18.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -70.32 -29.28 65.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 31.3 p -68.44 -0.77 5.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.83 46.08 9.94 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -135.13 170.89 15.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 27.7 tp -114.63 137.33 52.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.691 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 67.0 m-85 -135.65 154.41 51.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 1.03 ' SG ' HD12 ' A' ' 51' ' ' LEU . 30.2 p -84.09 23.16 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.63 -29.19 2.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 1.03 HD12 ' SG ' ' A' ' 49' ' ' CYS . 4.9 mt -73.32 -24.64 60.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 53' ' ' ARG . 65.8 m80 -117.74 -5.68 11.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.6 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 28.7 ptt85 -37.46 -49.03 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.491 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 43.7 m-85 -44.2 152.7 0.17 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.434 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 7.1 p -78.6 -31.13 46.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -91.15 19.41 5.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.491 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 54.5 mmtt -112.8 -41.57 3.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.691 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 7.0 p-80 -113.15 18.92 17.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.2 m120 56.46 50.37 13.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 32.7 t -53.71 120.89 24.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.655 0.74 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -32.43 18.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.724 2.283 . . . . 0.0 112.336 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.21 168.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 65' ' ' LYS . 2.3 m-20 -135.0 5.22 3.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.463 ' C ' ' O ' ' A' ' 63' ' ' ASP . 2.4 p90 -33.45 -34.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 63' ' ' ASP . 11.5 mtmt -43.8 -62.67 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.933 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.22 37.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 64' ' ' TYR . 15.3 tm-20 -94.46 -47.6 6.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -132.56 96.01 3.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.7 p -43.49 116.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -168.71 -157.84 11.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.548 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 166.82 26.37 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.295 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 55.7 p -116.72 150.39 38.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.0 m -148.74 177.02 9.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.48 -179.928 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 p -171.02 154.12 4.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -172.82 176.01 3.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.86 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.52 116.98 1.01 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -167.76 115.46 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.909 0.385 . . . . 0.0 110.881 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -172.1 170.29 5.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.435 ' HA3' ' HA ' ' A' ' 8' ' ' PRO . . . -66.71 -129.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.518 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.435 ' HA ' ' HA3' ' A' ' 7' ' ' GLY . 53.6 Cg_endo -69.72 147.67 85.04 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.705 -1.79 . . . . 0.0 112.318 0.008 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.8 m -160.7 125.26 3.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.0 m -145.86 115.1 7.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.4 p -171.65 118.18 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -120.94 -43.97 2.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 m -161.9 145.64 12.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -170.92 107.87 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -169.27 154.78 6.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -171.37 138.01 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -167.27 143.4 3.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.536 0.684 . . . . 0.0 111.098 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 125.22 11.91 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.722 2.281 . . . . 0.0 112.329 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -147.74 117.83 7.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 mp -106.55 155.66 38.44 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.619 0.724 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 136.39 32.75 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.709 2.273 . . . . 0.0 112.334 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.415 ' N ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -136.76 148.5 63.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 0.0 110.879 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -41.78 3.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -152.72 157.7 41.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -85.34 -75.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -126.47 37.86 4.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.503 ' O ' HD23 ' A' ' 47' ' ' LEU . 20.3 mtt180 -136.63 147.23 46.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.7 t -50.56 152.48 1.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.598 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -101.34 1.18 38.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.401 ' SD ' ' O ' ' A' ' 30' ' ' MET . 1.3 tpp -114.88 -46.62 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.6 p -106.47 -17.94 14.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? 64.14 54.6 1.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.526 ' O ' HG13 ' A' ' 35' ' ' VAL . 7.8 ttpp -117.59 146.45 43.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.485 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -53.86 118.76 4.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.824 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 33' ' ' LYS . 3.0 m -116.16 -41.55 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.438 ' N ' ' CG2' ' A' ' 35' ' ' VAL . . . 63.14 -113.0 5.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.544 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.1 mp -84.48 -32.44 23.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.939 0.399 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.8 p -67.76 -3.25 8.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.427 ' HA3' HD11 ' A' ' 47' ' ' LEU . . . -51.59 166.82 0.77 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.594 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.4 t80 -134.99 117.78 16.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.358 . . . . 0.0 110.886 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.73 108.14 19.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.2 t -82.13 166.4 19.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.598 ' HG3' ' CD2' ' A' ' 64' ' ' TYR . 18.8 mmt180 -67.99 -33.19 74.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.424 ' HA ' ' CD1' ' A' ' 62' ' ' TYR . 31.4 p -63.73 -6.84 6.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.93 43.93 6.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 -133.03 167.11 20.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 27' ' ' ARG . 19.8 tp -115.29 131.7 56.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.727 ' CE2' ' CG ' ' A' ' 58' ' ' HIS . 45.1 m-85 -130.98 155.32 47.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.444 ' O ' HD12 ' A' ' 51' ' ' LEU . 26.7 p -80.79 19.76 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.94 -30.48 3.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.456 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 49' ' ' CYS . 5.2 mp -75.9 -21.11 57.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 53' ' ' ARG . 48.2 m80 -115.09 -11.37 12.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.594 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 24.0 ptt180 -36.38 -49.38 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.522 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 46.5 m-85 -41.66 156.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.414 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 8.2 p -78.24 -38.22 43.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.85 19.99 2.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.522 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 19.5 mmtp -113.25 -42.21 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.727 ' CG ' ' CE2' ' A' ' 48' ' ' PHE . 5.8 p-80 -115.31 18.63 16.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.809 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.0 m120 55.5 51.5 12.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.414 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 32.2 t -52.41 118.55 12.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.607 0.718 . . . . 0.0 110.852 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.1 Cg_endo -69.82 -28.89 24.41 Favored 'Trans proline' 0 C--O 1.231 0.131 0 C-N-CA 122.69 2.26 . . . . 0.0 112.311 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.424 ' CD1' ' HA ' ' A' ' 44' ' ' CYS . 0.1 OUTLIER -46.83 175.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.891 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.5 OUTLIER -129.88 -11.69 4.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.598 ' CD2' ' HG3' ' A' ' 43' ' ' ARG . 0.3 OUTLIER -37.38 -28.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.991 -179.844 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 63' ' ' ASP . 28.6 pttt -51.82 -48.19 64.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.894 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.426 ' N ' ' HG3' ' A' ' 65' ' ' LYS . . . -120.14 36.39 4.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -83.38 -43.33 16.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -111.01 -42.88 3.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.09 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.4 p -170.21 158.55 6.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -157.81 145.72 12.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 105.77 1.53 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.73 2.287 . . . . 0.0 112.349 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.8 t -66.98 147.78 52.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.5 p -128.82 130.2 46.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.47 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.6 p -172.3 136.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.377 . . . . 0.0 110.826 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.8 m -82.38 -56.69 3.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.33 150.2 5.51 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -83.14 172.88 12.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.881 0.372 . . . . 0.0 110.844 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 t -172.61 120.22 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.14 -162.47 21.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 145.49 79.53 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.309 0.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.0 p -174.01 150.49 1.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.4 m -132.74 152.35 51.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.0 m -98.25 156.74 16.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -112.52 146.86 37.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 64.2 m -132.27 116.52 17.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -137.67 108.23 6.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -129.78 90.77 3.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -87.85 124.14 33.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.91 123.49 15.43 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.714 . . . . 0.0 111.097 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 108.18 2.03 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.638 2.225 . . . . 0.0 112.341 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -110.69 140.26 45.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 51.3 mt -90.3 146.99 35.78 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.567 0.699 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 125.43 12.15 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.718 2.279 . . . . 0.0 112.322 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -43.2 150.11 0.5 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.621 0.724 . . . . 0.0 110.881 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 -47.46 0.93 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.741 2.294 . . . . 0.0 112.36 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.84 85.22 2.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' ASN . 0.1 OUTLIER -69.02 72.18 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.852 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' LYS . 1.5 p30 35.9 42.83 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.3 mtt180 -133.87 141.73 47.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 17.7 t -45.41 148.88 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.63 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -99.53 2.47 44.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -114.02 -45.89 3.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.1 p -108.24 -20.46 13.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.426 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 12.2 mmm180 68.4 53.34 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.56 ' O ' HG13 ' A' ' 35' ' ' VAL . 7.1 ttpt -118.44 137.79 52.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.91 118.49 2.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.56 HG13 ' O ' ' A' ' 33' ' ' LYS . 5.8 m -114.06 -38.1 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.36 -108.45 0.31 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.548 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.52 -36.21 65.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.908 0.385 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.8 p -81.7 36.61 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -91.06 157.48 25.08 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.616 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.2 t80 -129.67 126.98 39.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.359 . . . . 0.0 110.884 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -100.0 112.14 24.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.818 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.42 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 22.8 t -82.98 167.4 17.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.558 ' HG3' ' CD2' ' A' ' 64' ' ' TYR . 60.3 mmt-85 -70.53 -33.16 70.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.804 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.0 p -63.41 -6.79 5.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.25 43.97 6.82 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -133.55 169.76 16.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.449 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 52.7 tp -112.46 141.11 46.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.691 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 63.8 m-85 -141.13 152.45 44.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.466 ' HB3' HG12 ' A' ' 35' ' ' VAL . 27.4 p -82.08 23.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.0 -32.74 2.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.467 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 49' ' ' CYS . 6.9 mp -73.23 -21.07 60.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.85 0.357 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -117.69 -8.81 10.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.616 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 22.6 ptt180 -37.86 -50.05 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.482 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 51.4 m-85 -40.82 155.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.423 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 6.5 p -80.59 -30.39 36.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.836 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -93.45 20.0 7.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.482 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 33.0 mmtm -113.08 -38.5 4.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.691 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.9 p-80 -117.35 18.69 14.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 55.99 52.13 11.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.423 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 31.9 t -53.83 120.51 23.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.649 0.737 . . . . 0.0 110.832 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' A' ' 62' ' ' TYR . 54.2 Cg_endo -69.76 -28.36 25.33 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.636 2.224 . . . . 0.0 112.392 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.498 ' CD2' ' HB3' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -46.03 174.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -134.94 -0.5 2.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.558 ' CD2' ' HG3' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -43.01 -34.75 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.884 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.546 ' HD2' ' HB2' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -64.54 -37.63 88.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.546 ' HB2' ' HD2' ' A' ' 65' ' ' LYS . . . -110.7 30.72 6.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -115.87 100.55 8.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.19 118.25 3.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.1 m -134.13 112.92 11.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 58.11 169.34 0.18 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -43.41 2.65 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.348 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 64.9 m -44.38 142.67 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.7 t -61.52 99.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.152 -0.804 . . . . 0.0 112.456 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m -160.44 115.22 2.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.879 0.371 . . . . 0.0 110.871 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -166.01 161.62 17.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.75 52.97 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.9 p -144.0 118.5 9.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.873 0.368 . . . . 0.0 110.82 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 p -174.32 112.62 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.889 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.79 176.56 22.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.446 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 135.8 35.66 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.7 -1.791 . . . . 0.0 112.349 0.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.2 m -93.14 103.83 16.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.1 p -123.13 91.81 3.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.1 p -126.72 82.12 2.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -171.64 127.28 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.921 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.9 p -168.57 127.98 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -115.69 83.4 1.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -152.91 105.58 2.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.0 142.47 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -168.86 133.57 1.34 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.623 0.725 . . . . 0.0 111.094 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 146.8 61.31 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.646 2.231 . . . . 0.0 112.371 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.424 ' C ' ' CD ' ' A' ' 19' ' ' GLU . 2.2 pp20? -114.07 146.78 39.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 68.6 mt -101.38 149.97 36.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.602 0.715 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 22' ' ' LYS . 53.9 Cg_endo -69.74 151.42 69.16 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 21' ' ' PRO . 10.6 ptpt -35.38 153.24 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.533 0.682 . . . . 0.0 110.94 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 6.95 1.11 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.372 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -114.75 115.88 27.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -76.54 50.65 0.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 38.0 50.3 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.5 mtt-85 -132.96 148.1 52.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 20.2 t -49.21 148.68 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.643 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -97.2 5.21 50.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.6 tpp -119.57 -46.8 2.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.401 ' HB3' ' CE1' ' A' ' 52' ' ' HIS . 31.8 p -106.66 -17.05 14.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 0.6 OUTLIER 65.35 54.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.853 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.472 ' O ' HG13 ' A' ' 35' ' ' VAL . 36.0 tttp -112.9 143.14 44.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.39 106.45 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.487 HG12 ' CB ' ' A' ' 49' ' ' CYS . 14.3 m -100.12 -39.16 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.069 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.406 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 52.27 -99.96 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -87.21 -29.86 21.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.904 0.383 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 79.1 p -83.22 32.68 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.0 156.99 38.7 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.52 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.599 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -131.38 121.57 24.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.915 -179.886 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -94.23 115.59 27.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.806 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.473 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 19.8 t -86.07 168.16 14.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 62.9 mmt-85 -68.85 -28.91 67.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.1 p -69.24 -0.82 6.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.2 45.48 11.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.523 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -134.28 173.07 12.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.827 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.45 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 33.4 tp -114.73 140.22 49.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.943 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.689 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 70.5 m-85 -138.31 154.73 49.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.885 ' SG ' HD12 ' A' ' 51' ' ' LEU . 31.3 p -84.41 24.26 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.58 -31.42 2.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.885 HD12 ' SG ' ' A' ' 49' ' ' CYS . 7.2 mt -71.69 -24.12 61.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.89 0.376 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.401 ' CE1' ' HB3' ' A' ' 31' ' ' CYS . 68.1 m80 -119.45 -2.9 10.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.599 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 28.5 ptt180 -38.58 -43.87 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.481 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 46.0 m-85 -48.07 178.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.417 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 15.8 p -96.65 -56.71 2.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -65.72 -3.9 5.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.481 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 28.0 mmtt -84.11 -45.12 13.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.689 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.3 p-80 -114.41 18.8 16.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.6 m120 55.42 52.52 11.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 33.2 t -53.81 121.76 30.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.662 0.744 . . . . 0.0 110.845 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.9 Cg_endo -69.77 -34.33 14.76 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.379 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.406 ' O ' ' O ' ' A' ' 61' ' ' PRO . 0.1 OUTLIER -45.55 172.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 65' ' ' LYS . 10.1 t0 -134.77 13.49 3.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.855 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.449 ' C ' ' O ' ' A' ' 63' ' ' ASP . 6.3 p90 -34.22 -32.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.523 ' N ' ' O ' ' A' ' 63' ' ' ASP . 14.6 mttt -43.68 -68.69 0.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.52 -49.45 66.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -43.81 128.66 5.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -172.41 140.73 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.2 m -83.11 117.71 23.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 149.64 126.62 1.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -0.46 6.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.721 2.281 . . . . 0.0 112.335 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.3 m -67.65 94.53 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.3 t -128.45 148.6 50.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.059 -0.856 . . . . 0.0 112.529 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.2 m -122.93 159.87 27.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.881 0.372 . . . . 0.0 110.889 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.8 p -168.48 162.73 12.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.89 88.63 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.3 m -96.4 132.89 41.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 110.841 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 t -105.61 89.3 3.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.401 ' HA3' ' HA ' ' A' ' 8' ' ' PRO . . . 38.03 -158.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.545 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.401 ' HA ' ' HA3' ' A' ' 7' ' ' GLY . 53.5 Cg_endo -69.75 162.66 83.66 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.34 0.019 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.8 p -168.6 122.38 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.6 t -168.22 142.81 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.9 m -95.92 135.32 37.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -55.83 157.7 4.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.4 t -156.52 134.15 10.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -61.71 140.06 58.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -157.35 137.28 12.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.414 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 8.8 tmtm? -111.46 117.79 34.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.931 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.82 137.04 33.77 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.595 0.712 . . . . 0.0 111.081 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 146.77 61.19 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -67.39 141.85 56.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.539 ' C ' HD12 ' A' ' 20' ' ' LEU . 1.5 pp -70.04 151.17 96.15 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.565 0.697 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.414 ' C ' HD12 ' A' ' 20' ' ' LEU . 53.9 Cg_endo -69.74 119.96 6.82 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.694 2.263 . . . . 0.0 112.361 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -75.11 120.45 81.71 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.59 0.709 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -10.82 29.54 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.338 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -104.53 106.64 17.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -75.75 58.04 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 43.65 54.23 5.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 -138.44 142.61 39.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.412 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 18.9 t -44.35 152.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.632 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -99.7 3.63 45.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.9 tpp -118.97 -46.14 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.424 ' C ' ' HD3' ' A' ' 32' ' ' ARG . 31.8 p -108.13 -15.21 14.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.424 ' HD3' ' C ' ' A' ' 31' ' ' CYS . 2.9 mpp_? 61.97 54.95 2.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.502 ' O ' HG13 ' A' ' 35' ' ' VAL . 24.4 tttp -113.33 144.2 43.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -55.38 108.28 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 33' ' ' LYS . 10.4 m -100.59 -42.9 10.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.489 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 68.13 -107.19 1.96 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tt -94.6 -34.49 12.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.94 0.4 . . . . 0.0 110.925 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.9 p -63.5 -4.3 2.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -41.36 159.88 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.439 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.603 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.2 t80 -133.39 113.78 12.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -87.74 115.54 25.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.408 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 24.7 t -87.66 166.69 14.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -64.63 -33.11 75.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.8 p -65.94 -4.36 6.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.1 45.46 8.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.458 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.404 ' ND2' ' CE2' ' A' ' 29' ' ' PHE . 42.6 m-20 -131.83 171.21 13.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.448 HD11 HG21 ' A' ' 35' ' ' VAL . 20.1 tp -115.86 131.81 56.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.716 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 66.7 m-85 -130.22 154.77 47.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.92 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.951 ' SG ' HD12 ' A' ' 51' ' ' LEU . 30.8 p -83.69 23.7 0.95 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.67 -29.9 2.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.449 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.951 HD12 ' SG ' ' A' ' 49' ' ' CYS . 5.4 mt -73.11 -23.77 60.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' ARG . 67.0 m80 -118.29 -6.77 10.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.603 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 24.4 ptt180 -36.39 -48.56 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.488 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 37.5 m-85 -43.97 156.24 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.408 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 2.8 p -81.23 -31.32 33.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -92.11 19.56 6.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.488 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 57.5 mmtt -112.5 -38.82 4.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.716 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.7 p-80 -115.62 18.5 15.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 56.29 50.44 13.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.408 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 30.6 t -51.6 120.07 14.69 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.622 0.725 . . . . 0.0 110.867 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -31.03 21.14 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.322 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -44.99 168.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 66' ' ' ALA . 0.5 OUTLIER -134.04 12.39 3.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -40.13 -40.76 1.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.502 ' HG2' ' N ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -59.56 -37.73 79.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.882 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.502 ' N ' ' HG2' ' A' ' 65' ' ' LYS . . . -86.48 -26.46 24.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.054 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -66.06 -48.33 71.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.62 139.99 58.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.5 m -63.81 162.42 13.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -147.42 178.1 25.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.476 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -1.14 7.96 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.707 2.271 . . . . 0.0 112.35 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 81.0 p -151.4 127.36 10.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 88.4 p -170.99 116.61 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.535 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 m -164.82 151.59 10.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.894 0.378 . . . . 0.0 110.871 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.7 t -168.12 128.58 1.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.6 -177.43 46.74 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -169.95 130.4 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 0.0 110.868 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 m -129.34 102.26 6.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.43 ' HA3' ' C ' ' A' ' 8' ' ' PRO . . . 69.7 -116.05 6.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.462 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.43 ' C ' ' HA3' ' A' ' 7' ' ' GLY . 53.4 Cg_endo -69.83 172.5 48.97 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.314 0.157 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.9 m -158.29 152.86 24.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.6 m -165.65 112.96 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.2 t -172.44 122.0 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -172.18 114.31 0.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.9 m -172.65 155.8 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -171.79 112.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -154.36 140.37 18.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -155.32 151.97 28.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -159.04 142.83 11.0 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.583 0.706 . . . . 0.0 111.055 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 162.0 43.75 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.269 . . . . 0.0 112.32 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -78.93 130.11 35.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.551 ' C ' HD12 ' A' ' 20' ' ' LEU . 1.4 pp -91.64 150.43 40.99 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.621 0.724 . . . . 0.0 110.887 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 22' ' ' LYS . 54.1 Cg_endo -69.73 112.78 3.17 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 0.0 112.321 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -35.1 145.71 0.19 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.585 0.707 . . . . 0.0 110.94 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 5.27 1.75 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.706 2.271 . . . . 0.0 112.311 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.6 75.94 1.02 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.7 tttt -52.01 -61.6 2.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -134.86 47.35 2.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.433 ' O ' HD23 ' A' ' 47' ' ' LEU . 20.9 mtt180 -135.03 144.07 47.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 16.6 t -50.49 150.53 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.622 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.65 1.82 40.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.482 ' CE ' ' HA ' ' A' ' 58' ' ' HIS . 0.5 OUTLIER -114.86 -43.57 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.5 p -108.8 -19.81 13.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.9 mmm-85 68.26 54.79 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.3 tttt -117.6 149.14 41.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -62.52 107.13 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.511 HG23 ' N ' ' A' ' 36' ' ' GLY . 11.2 m -94.22 -44.47 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.511 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 67.76 -103.65 1.01 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.457 HD22 ' HA ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -94.54 -34.53 12.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.924 0.393 . . . . 0.0 110.897 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.3 p -67.85 -0.41 4.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.179 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -49.56 166.45 0.34 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.594 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.0 OUTLIER -142.49 121.76 13.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.866 -179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.31 114.57 26.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.4 t -85.63 166.38 16.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.453 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . 25.9 mmt-85 -65.79 -33.82 76.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.2 p -65.45 -5.23 7.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.08 44.43 7.61 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.433 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -131.66 167.96 18.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.868 0.366 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.525 HD12 ' H ' ' A' ' 40' ' ' PHE . 24.0 tp -113.89 135.4 54.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.685 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 51.5 m-85 -135.98 155.81 49.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.486 ' O ' HD12 ' A' ' 51' ' ' LEU . 26.5 p -80.08 21.73 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.32 -34.53 2.44 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 49' ' ' CYS . 6.4 mp -73.65 -18.03 61.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.904 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 54' ' ' TYR . 43.1 m80 -116.82 -13.59 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.594 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 14.9 ptt180 -39.76 -27.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.584 ' CD2' ' HG3' ' A' ' 57' ' ' LYS . 0.9 OUTLIER -59.01 152.92 18.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.814 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.408 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 14.5 p -76.68 -34.26 58.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -89.58 15.48 9.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.834 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.584 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 38.1 mmtt -107.29 -50.46 3.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.685 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.9 p-80 -107.32 18.82 21.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.4 m120 55.8 48.17 18.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.416 ' HB2' ' NE2' ' A' ' 58' ' ' HIS . 34.1 t -48.73 118.92 7.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.628 0.728 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -33.58 16.42 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.737 2.291 . . . . 0.0 112.371 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -44.42 168.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.906 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 65' ' ' LYS . 30.7 t0 -134.24 7.17 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.473 ' C ' ' O ' ' A' ' 63' ' ' ASP . 3.0 p90 -32.83 -34.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 63' ' ' ASP . 1.8 ptpt -54.46 -54.23 43.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.92 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -72.44 -40.13 67.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -45.2 92.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -139.56 167.88 21.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.7 t -104.65 110.94 23.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 125.22 -69.86 0.48 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 108.26 2.03 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.4 t -63.38 129.43 40.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.9 m -153.71 127.2 8.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.504 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.3 t -150.55 126.09 10.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 m -145.21 155.36 43.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.27 120.18 1.05 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.6 m -153.15 117.13 4.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 110.885 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -139.61 108.5 5.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.823 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.71 -151.49 20.33 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -176.58 12.81 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.705 -1.789 . . . . 0.0 112.371 -0.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.7 m -157.11 113.82 3.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.6 t -120.52 135.88 54.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.829 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.4 m -139.42 125.89 20.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -142.74 154.11 43.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.2 t -74.23 146.22 43.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -82.17 110.63 17.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -139.39 115.65 10.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -104.06 168.63 8.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.12 123.68 4.43 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.577 0.703 . . . . 0.0 111.075 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 143.37 50.49 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.355 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -140.04 123.7 17.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.04 155.96 40.68 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.643 0.735 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.402 ' O ' ' HD3' ' A' ' 23' ' ' PRO . 53.4 Cg_endo -69.76 128.17 15.64 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.684 2.256 . . . . 0.0 112.339 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -103.66 94.57 6.3 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.727 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 21' ' ' PRO . 53.6 Cg_endo -69.77 81.93 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm 51.45 41.18 28.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.6 mttt 44.71 41.23 4.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.868 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 38.36 45.01 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.2 mtt85 -130.61 142.15 50.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 19.6 t -43.68 149.83 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.629 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -99.2 4.23 46.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.838 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.3 tpp -116.39 -46.7 2.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.0 p -108.27 -19.12 13.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 16.0 mmm180 68.64 54.9 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.5 ' O ' HG13 ' A' ' 35' ' ' VAL . 9.1 ttpp -114.21 141.57 47.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.68 108.8 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.5 HG13 ' O ' ' A' ' 33' ' ' LYS . 6.3 m -102.54 -39.42 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.151 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.417 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 51.55 -98.35 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.7 mt -86.26 -31.05 21.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.859 0.362 . . . . 0.0 110.927 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.5 p -83.62 32.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.43 157.58 36.66 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.461 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.598 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.0 OUTLIER -132.14 120.29 22.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.834 0.35 . . . . 0.0 110.933 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -94.29 113.11 24.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.432 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 23.0 t -84.64 166.99 16.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.453 ' HG3' ' CD2' ' A' ' 64' ' ' TYR . 15.1 mmp_? -68.11 -31.22 70.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.0 p -65.23 -5.37 6.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.99 44.09 7.85 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -133.97 172.24 13.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.451 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 28.5 tp -114.37 140.91 48.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.702 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 72.2 m-85 -138.66 153.31 48.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.942 ' SG ' HD12 ' A' ' 51' ' ' LEU . 31.3 p -83.88 23.16 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.89 -29.14 2.42 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.942 HD12 ' SG ' ' A' ' 49' ' ' CYS . 7.5 mt -73.32 -24.79 60.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.847 0.356 . . . . 0.0 110.944 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -118.67 -3.97 10.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.598 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 32.5 ptt180 -38.79 -48.15 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.484 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 48.0 m-85 -44.25 156.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.427 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 5.0 p -81.32 -33.53 32.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.802 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -89.67 18.04 5.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.484 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 59.4 mmtt -110.6 -41.88 4.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.702 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.9 p-80 -112.73 19.13 17.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 56.15 51.28 12.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.427 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 32.8 t -53.73 120.6 23.75 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.646 0.736 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.415 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.7 Cg_endo -69.76 -30.92 21.48 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.415 ' O ' ' O ' ' A' ' 61' ' ' PRO . 0.1 OUTLIER -45.43 172.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -134.21 -3.06 2.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.471 ' C ' ' O ' ' A' ' 63' ' ' ASP . 0.7 OUTLIER -32.62 -36.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.831 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 63' ' ' ASP . 9.4 mtpt -39.62 -51.88 2.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.57 39.38 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -122.79 -54.52 1.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -118.34 115.04 23.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 m -44.15 121.83 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -155.9 -152.65 6.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.454 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -0.78 7.39 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.67 2.247 . . . . 0.0 112.338 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.6 p -50.82 160.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 54.2 p -150.55 145.09 25.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.501 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 m -161.71 123.55 2.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.849 0.357 . . . . 0.0 110.878 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.9 m -156.09 173.86 16.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.865 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.36 150.29 12.67 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 t -174.89 153.15 1.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.881 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.8 t -174.94 160.4 2.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.809 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.67 -169.34 6.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.488 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -176.79 13.17 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.353 0.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 m -173.24 142.6 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.5 m -159.95 173.59 15.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.3 t -165.01 169.11 16.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -174.87 145.65 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.6 p -154.93 124.51 6.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -140.08 169.21 18.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.846 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -140.15 105.21 4.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -150.41 141.55 23.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.92 150.95 1.36 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.613 0.721 . . . . 0.0 111.053 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 172.06 13.3 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.645 2.23 . . . . 0.0 112.353 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -147.15 155.43 42.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.441 ' C ' HD12 ' A' ' 20' ' ' LEU . 2.0 pp -65.47 151.94 93.32 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.626 0.727 . . . . 0.0 110.91 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 119.22 6.2 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -104.19 128.51 26.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.563 0.697 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -22.79 31.57 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.345 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -137.39 178.02 7.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -101.49 41.63 1.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 45.53 27.31 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -120.5 139.98 52.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.424 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 18.9 t -45.11 150.79 0.38 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.644 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -99.78 5.05 45.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.421 ' CE ' ' HA ' ' A' ' 58' ' ' HIS . 1.5 tpp -118.93 -44.43 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.432 ' HB3' ' CE1' ' A' ' 52' ' ' HIS . 31.2 p -110.5 -17.51 13.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 16.1 mmt180 66.94 55.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.438 ' O ' HG13 ' A' ' 35' ' ' VAL . 30.2 tttt -117.9 130.72 56.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -49.05 113.86 0.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.708 HG21 HD11 ' A' ' 47' ' ' LEU . 3.6 m -104.58 -44.08 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.479 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 69.13 -107.51 2.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tp -89.16 -35.51 16.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.9 0.381 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 24.3 p -69.1 1.09 3.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -51.7 166.1 0.93 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.458 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.606 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.2 t80 -136.56 114.1 10.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.886 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -88.7 113.95 24.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.435 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 23.3 t -84.57 167.53 16.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.844 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.457 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . 20.8 mmt180 -68.56 -29.98 68.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.3 p -68.33 -1.44 6.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.47 45.75 9.47 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.509 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -133.74 169.83 16.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.859 0.361 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.708 HD11 HG21 ' A' ' 35' ' ' VAL . 18.3 tp -113.92 136.57 52.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.693 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 69.0 m-85 -135.53 153.44 51.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.474 ' HB3' HG12 ' A' ' 35' ' ' VAL . 31.3 p -84.15 22.93 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.07 -28.31 2.59 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.51 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.5 mt -73.34 -25.72 60.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.821 0.343 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.432 ' CE1' ' HB3' ' A' ' 31' ' ' CYS . 65.2 m80 -118.7 -2.2 10.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.606 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 35.3 ptt85 -39.67 -47.91 2.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.49 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 40.9 m-85 -43.37 160.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.428 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 3.5 p -84.09 -33.48 24.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.818 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -90.37 18.32 6.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.49 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 24.3 mmtp -110.71 -39.75 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.693 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.8 p-80 -115.54 18.95 15.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 56.54 50.06 13.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.428 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 33.7 t -52.86 120.14 18.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.668 0.747 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.7 Cg_endo -69.74 -32.44 18.65 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.698 2.266 . . . . 0.0 112.33 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.457 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -44.37 169.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.468 ' O ' ' C ' ' A' ' 64' ' ' TYR . 7.8 m-20 -135.02 6.39 3.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.849 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.468 ' C ' ' O ' ' A' ' 63' ' ' ASP . 2.4 p90 -33.2 -39.22 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 63' ' ' ASP . 12.8 ptpt -48.04 -51.7 23.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.81 -38.65 73.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.063 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -51.63 95.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.03 101.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -66.74 -53.76 29.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 124.04 -71.68 0.43 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 121.41 8.1 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.368 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.1 t -104.03 -56.8 2.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 74' ' ' GLY . 60.1 p -51.0 -44.74 61.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 73' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.185 -0.786 . . . . 0.0 112.464 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.7 p -44.93 -48.19 11.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.796 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 t -109.86 145.82 36.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.878 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.31 103.44 0.28 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.9 p -137.56 122.15 18.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.901 0.381 . . . . 0.0 110.88 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.7 m -152.32 167.49 28.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.434 ' N ' ' HA ' ' A' ' 8' ' ' PRO . . . -64.21 -66.68 2.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.468 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.434 ' HA ' ' N ' ' A' ' 7' ' ' GLY . 54.0 Cg_endo -69.73 -50.16 0.2 OUTLIER 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 -1.806 . . . . 0.0 112.387 0.009 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.5 p -168.01 164.13 13.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 84.4 p -157.79 124.95 5.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.3 p -96.37 42.18 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -95.83 41.9 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -78.16 100.16 6.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -172.65 127.97 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -141.77 136.87 31.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -63.81 149.87 45.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -169.1 143.54 2.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.627 0.727 . . . . 0.0 111.067 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 162.96 40.07 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -144.46 144.24 31.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.443 ' C ' HD12 ' A' ' 20' ' ' LEU . 1.7 pp -82.07 149.73 63.35 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.644 0.735 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.41 ' O ' HD12 ' A' ' 20' ' ' LEU . 53.9 Cg_endo -69.78 124.75 11.38 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.39 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -38.81 143.42 0.46 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.553 0.692 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 0.93 4.93 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -109.3 108.93 19.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 26' ' ' ASN . 48.4 mttp -84.44 76.06 10.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER 37.97 42.8 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -130.52 142.43 50.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.5 t -45.08 152.3 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.639 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.99 2.15 40.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.41 ' SD ' ' O ' ' A' ' 30' ' ' MET . 1.6 tpp -117.04 -44.33 2.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.0 p -108.17 -16.79 14.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 63.12 54.94 2.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.502 ' O ' HG13 ' A' ' 35' ' ' VAL . 42.0 tttt -119.95 133.57 55.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -47.32 119.81 2.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 33' ' ' LYS . 5.9 m -112.85 -36.3 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.59 -109.13 0.83 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.447 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -77.54 -30.66 52.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.874 0.368 . . . . 0.0 110.915 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.6 p -82.75 32.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.73 151.75 25.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.531 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.597 ' CD1' ' HB2' ' A' ' 53' ' ' ARG . 0.6 OUTLIER -126.71 119.34 26.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 0.0 110.887 -179.848 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -95.15 116.98 29.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.8 t -89.26 165.57 14.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.582 ' HG3' ' CD2' ' A' ' 64' ' ' TYR . 11.3 mmp_? -64.91 -34.74 79.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.449 ' HA ' ' CD1' ' A' ' 62' ' ' TYR . 29.2 p -61.71 -8.58 4.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.44 42.09 7.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.455 ' ND2' ' CE2' ' A' ' 29' ' ' PHE . 34.4 m-20 -130.25 168.67 16.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.38 . . . . 0.0 110.87 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.46 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 42.0 tp -113.98 137.55 51.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.711 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 66.2 m-85 -135.32 152.78 51.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.462 ' HB3' HG12 ' A' ' 35' ' ' VAL . 29.0 p -83.54 26.24 0.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.4 -38.31 2.44 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.473 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 mp -69.28 -18.92 63.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.838 0.352 . . . . 0.0 110.932 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -120.98 -4.83 9.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.597 ' HB2' ' CD1' ' A' ' 40' ' ' PHE . 28.3 ptt180 -39.02 -48.24 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.489 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 55.5 m-85 -45.11 172.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.483 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 0.7 OUTLIER -90.78 -49.86 6.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.887 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -73.57 4.94 4.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.489 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 29.6 mmtt -96.04 -31.45 13.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.711 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 5.5 p-80 -126.12 18.71 7.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 55.33 49.03 17.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.483 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 24.6 t -45.16 118.62 3.8 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.613 0.721 . . . . 0.0 110.925 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.8 Cg_endo -69.72 -25.84 28.37 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.375 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.449 ' CD1' ' HA ' ' A' ' 44' ' ' CYS . 0.2 OUTLIER -50.93 -173.92 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.04 -17.83 4.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.582 ' CD2' ' HG3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -40.08 -30.87 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.822 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.46 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 10.6 ptmt -42.43 -40.2 2.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -114.71 -33.55 5.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -61.02 -59.97 4.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.09 88.41 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.087 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.2 t -61.55 151.92 31.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -112.29 -83.73 1.32 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 158.45 56.92 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.671 2.247 . . . . 0.0 112.351 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.2 t -100.85 152.78 20.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.3 t -133.71 124.27 26.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.097 -0.835 . . . . 0.0 112.518 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 3' ' ' SER . 34.0 t -54.19 -47.71 71.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.376 . . . . 0.0 110.853 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 2' ' ' SER . 66.4 p 34.62 44.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.09 80.38 0.32 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.514 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.1 t -105.61 93.37 4.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 110.887 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.8 m -160.94 172.83 16.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.501 ' HA3' ' C ' ' A' ' 8' ' ' PRO . . . -74.01 -106.36 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.552 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.501 ' C ' ' HA3' ' A' ' 7' ' ' GLY . 53.9 Cg_endo -69.71 165.46 76.44 Favored 'Cis proline' 0 C--O 1.231 0.162 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.373 -0.048 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.5 t -164.22 107.92 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.8 t -165.71 109.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.5 t -152.93 106.61 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.91 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -171.41 119.64 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 98.1 p -156.73 107.99 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -159.17 116.64 2.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -123.02 39.18 4.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -94.48 131.81 39.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -155.54 140.6 12.23 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.589 0.709 . . . . 0.0 111.11 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 164.2 35.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -99.69 135.72 40.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.401 ' HA ' HD13 ' A' ' 20' ' ' LEU . 3.5 mm? -55.46 157.02 7.51 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.601 0.715 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 155.03 66.72 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.652 2.235 . . . . 0.0 112.341 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -100.54 156.92 34.65 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.556 0.693 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -39.85 6.09 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.271 . . . . 0.0 112.35 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -152.5 122.23 6.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 24.9 tptt -82.83 47.23 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.425 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 1.6 p-10 46.07 50.3 11.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.8 mtt-85 -135.43 148.87 49.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.421 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 18.9 t -48.65 150.42 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.637 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -98.49 4.4 48.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.6 tpp -118.87 -45.66 2.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.9 p -106.35 -18.9 13.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.0 mmm-85 68.25 47.17 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.463 ' HG2' ' N ' ' A' ' 34' ' ' LYS . 32.5 tttp -105.71 151.31 24.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.463 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -65.28 111.91 3.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.847 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.434 HG23 ' N ' ' A' ' 36' ' ' GLY . 7.9 m -105.09 -40.91 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.156 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.434 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 50.74 -95.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.76 -31.47 17.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.842 0.353 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.3 p -82.67 32.86 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.136 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.06 153.1 32.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.596 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -127.6 119.76 26.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 110.887 -179.877 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -93.34 113.79 26.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.412 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 24.5 t -85.24 167.17 15.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.424 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . 47.8 mmt-85 -67.9 -31.21 70.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.7 p -67.31 -2.27 5.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.62 46.55 8.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.531 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -134.25 168.91 18.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 0.0 110.962 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.451 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 28.2 tp -113.94 134.97 54.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.715 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 65.8 m-85 -133.15 155.79 48.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 1.02 ' SG ' HD12 ' A' ' 51' ' ' LEU . 30.6 p -84.64 23.88 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.36 -28.72 2.3 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 1.02 HD12 ' SG ' ' A' ' 49' ' ' CYS . 5.0 mt -74.4 -24.91 59.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -117.32 -4.55 11.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.596 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 23.5 ptt180 -39.09 -47.85 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.836 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.491 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 44.3 m-85 -44.79 156.11 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.421 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 6.3 p -80.8 -32.63 35.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -90.37 19.16 5.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.491 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 12.1 mmtp -111.98 -42.6 3.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.715 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.8 p-80 -112.34 18.43 18.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 56.73 50.28 12.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.421 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 32.2 t -53.0 120.75 20.5 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.603 0.716 . . . . 0.0 110.923 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -32.02 19.36 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.347 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.424 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -45.64 168.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 65' ' ' LYS . 1.6 m-20 -134.53 5.87 3.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.483 ' C ' ' O ' ' A' ' 63' ' ' ASP . 2.9 p90 -31.73 -37.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 63' ' ' ASP . 14.9 pttp -48.49 -52.42 22.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.2 -41.94 63.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -46.74 144.33 2.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -154.41 148.24 25.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.5 m -128.83 89.59 2.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 147.63 -153.67 25.45 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 149.22 66.69 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.66 2.24 . . . . 0.0 112.365 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 91.2 p -69.96 144.72 52.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.6 t -103.28 106.57 17.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.495 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -164.44 170.7 15.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.855 0.36 . . . . 0.0 110.844 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -153.54 175.01 13.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.89 -179.58 27.66 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 t -173.72 159.79 3.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.892 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.5 p -172.28 140.59 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 41.72 -162.7 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 179.15 23.21 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.356 0.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.9 p -130.78 -61.11 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -172.14 151.1 2.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.829 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.9 p -174.17 130.69 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -106.35 86.88 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.6 p -167.6 107.98 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -84.65 35.88 0.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -69.92 90.15 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 mmtm -111.66 129.78 55.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.476 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -162.71 157.03 18.19 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 111.103 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.476 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 53.1 Cg_endo -69.8 144.6 54.32 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.704 2.27 . . . . 0.0 112.296 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.41 ' CD ' ' H ' ' A' ' 19' ' ' GLU . 32.1 mp0 -54.66 168.26 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -46.44 156.71 0.48 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.587 0.708 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 117.39 5.05 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -129.24 91.7 41.11 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.543 0.687 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 3.65 2.68 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.672 2.248 . . . . 0.0 112.306 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.46 105.95 8.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -81.4 44.01 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.473 ' ND2' ' HA2' ' A' ' 36' ' ' GLY . 6.8 t-20 63.17 37.07 11.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -121.76 140.35 52.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.9 t -42.74 151.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.612 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -101.36 2.26 39.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.582 ' SD ' ' CD2' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -118.0 -38.09 3.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.862 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.5 p -113.8 -18.12 11.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 64.45 54.87 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.44 ' O ' HG13 ' A' ' 35' ' ' VAL . 28.0 tttm -121.49 135.94 54.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -50.78 114.13 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.509 HG12 ' HB3' ' A' ' 49' ' ' CYS . 6.1 m -103.95 -35.65 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.473 ' HA2' ' ND2' ' A' ' 26' ' ' ASN . . . 54.23 -109.8 1.31 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.22 -29.38 42.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.858 0.361 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.6 p -83.37 31.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.54 156.62 33.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.599 ' CZ ' ' HD2' ' A' ' 53' ' ' ARG . 1.0 OUTLIER -131.2 120.55 23.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.892 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -95.93 112.27 24.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.3 t -84.2 167.22 16.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.462 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . 13.8 mmm-85 -68.84 -30.88 69.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 46' ' ' ASN . 24.9 p -68.23 -0.4 4.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.19 47.33 9.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.498 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.468 ' ND2' ' CE2' ' A' ' 29' ' ' PHE . 33.2 m-20 -134.44 167.1 21.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.504 HD11 HG21 ' A' ' 35' ' ' VAL . 38.5 tp -113.73 136.79 52.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.672 ' CE2' ' CG ' ' A' ' 58' ' ' HIS . 57.1 m-85 -136.61 151.46 49.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.509 ' HB3' HG12 ' A' ' 35' ' ' VAL . 28.1 p -80.62 19.13 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.24 -29.18 3.98 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 mp -75.87 -22.94 55.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.832 0.349 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.582 ' CD2' ' SD ' ' A' ' 30' ' ' MET . 54.7 m80 -117.98 -6.83 10.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.599 ' HD2' ' CZ ' ' A' ' 40' ' ' PHE . 19.6 ptt85 -39.57 -51.79 2.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.494 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 35.3 m-85 -38.52 155.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.43 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 66.0 p -79.34 -31.81 43.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -91.96 18.88 7.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.494 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 40.8 mmtm -114.98 -35.51 4.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.672 ' CG ' ' CE2' ' A' ' 48' ' ' PHE . 5.8 p-80 -119.08 17.01 13.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.0 m120 55.94 54.24 8.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 32.9 t -56.15 117.63 17.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.657 0.741 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.6 Cg_endo -69.84 -33.02 17.12 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.667 2.245 . . . . 0.0 112.318 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.462 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -45.7 172.92 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.945 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 65' ' ' LYS . 3.7 m-20 -135.0 9.48 3.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 63' ' ' ASP . 3.4 p90 -36.42 -30.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 63' ' ' ASP . 21.0 pttp -63.43 -47.48 81.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . -121.64 50.78 1.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -106.3 -14.89 14.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -113.91 97.0 6.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.3 t -86.57 -57.73 2.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 159.98 -82.65 0.14 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -178.1 2.18 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 63.6 p -84.73 42.87 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.6 t -125.7 90.87 3.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.473 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -169.66 158.96 7.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.1 p -126.72 130.84 51.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.67 43.14 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -105.05 86.65 2.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.877 0.37 . . . . 0.0 110.858 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -166.88 110.07 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.475 ' HA2' ' C ' ' A' ' 8' ' ' PRO . . . 132.03 166.12 11.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.475 ' C ' ' HA2' ' A' ' 7' ' ' GLY . 54.0 Cg_endo -69.76 171.18 54.91 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.347 0.009 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.1 m -105.59 119.63 39.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.818 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.3 p -153.86 163.51 39.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.0 t -153.67 134.22 13.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -146.87 147.83 31.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.5 p -157.82 125.42 5.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -131.03 102.73 6.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -159.81 130.7 5.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' HD2' ' C ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -168.66 174.21 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.929 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.415 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -124.66 155.52 69.45 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.606 0.717 . . . . 0.0 111.128 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.415 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 54.4 Cg_endo -69.74 115.4 4.07 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.363 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -161.31 123.11 2.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.2 mt -142.57 152.6 60.4 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.65 0.738 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 178.82 4.16 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.695 2.263 . . . . 0.0 112.35 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -42.08 153.44 0.29 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.546 0.689 . . . . 0.0 110.912 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.446 ' C ' ' HD3' ' A' ' 24' ' ' LYS . 53.4 Cg_endo -69.75 -52.01 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.351 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.446 ' HD3' ' C ' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -128.96 77.61 1.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -60.81 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -132.72 43.06 3.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.667 ' O ' HD23 ' A' ' 47' ' ' LEU . 19.1 mtt180 -132.98 142.02 48.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.836 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.418 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 17.0 t -47.7 151.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.613 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.7 2.4 41.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -115.32 -47.23 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 32' ' ' ARG . 31.8 p -106.48 -18.04 14.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER 65.59 54.92 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.478 ' O ' HG13 ' A' ' 35' ' ' VAL . 28.7 tttm -116.54 140.72 49.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -55.94 107.43 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 33' ' ' LYS . 19.8 m -99.1 -38.09 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 54.6 -110.19 1.53 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.534 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.4 mt -79.58 -28.42 41.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.909 0.385 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 24.1 p -85.62 33.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.57 168.5 42.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.603 ' CZ ' ' HD2' ' A' ' 53' ' ' ARG . 1.1 t80 -141.46 124.72 16.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.872 0.368 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -98.58 114.38 26.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.421 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 23.2 t -85.34 166.75 16.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.517 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . 23.1 mmt180 -69.4 -28.71 66.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.3 p -69.27 -1.17 7.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.29 46.78 8.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.446 ' ND2' ' CE2' ' A' ' 29' ' ' PHE . 36.5 m-20 -137.06 168.34 19.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.876 0.369 . . . . 0.0 110.862 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.667 HD23 ' O ' ' A' ' 27' ' ' ARG . 20.3 tp -112.33 140.59 46.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.685 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 64.7 m-85 -138.92 153.39 48.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.459 ' HB3' HG12 ' A' ' 35' ' ' VAL . 28.2 p -82.59 23.64 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.37 -32.34 2.33 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 49' ' ' CYS . 5.3 mp -72.81 -22.9 60.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.457 ' O ' ' C ' ' A' ' 53' ' ' ARG . 51.2 m80 -115.82 -12.86 11.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.603 ' HD2' ' CZ ' ' A' ' 40' ' ' PHE . 21.7 ptt180 -33.97 -48.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.525 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 62.8 m-85 -45.74 150.07 0.56 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.455 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 16.7 p -74.46 -38.32 62.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -85.5 20.39 2.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.525 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 2.4 mmmp? -114.53 -37.94 4.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.685 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 7.1 p-80 -118.61 21.2 12.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 54.36 50.6 15.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.455 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 38.2 t -53.84 121.32 27.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.635 0.731 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -32.37 18.58 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.656 2.237 . . . . 0.0 112.347 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.517 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -44.32 167.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.949 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 66' ' ' ALA . 3.6 m-20 -134.98 12.63 3.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -40.22 -30.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 66' ' ' ALA . 24.3 pttt -60.79 -44.13 97.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.434 ' N ' ' HG3' ' A' ' 65' ' ' LYS . . . -100.21 39.96 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.084 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -128.47 -55.4 1.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -161.91 147.82 13.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.066 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.8 m 46.31 48.7 13.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -128.85 65.55 0.58 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 179.92 3.37 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.729 2.286 . . . . 0.0 112.348 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.0 m -103.71 94.11 5.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 t -78.12 144.6 36.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.482 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 m -154.66 147.09 23.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.886 0.374 . . . . 0.0 110.889 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.2 p -171.92 170.42 5.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.64 129.1 2.13 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 p -116.58 133.13 56.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.915 0.388 . . . . 0.0 110.852 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -150.83 176.39 11.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.459 ' HA3' ' C ' ' A' ' 8' ' ' PRO . . . -81.08 -115.41 0.35 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.448 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.459 ' C ' ' HA3' ' A' ' 7' ' ' GLY . 53.2 Cg_endo -69.79 -179.39 19.09 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.657 -1.809 . . . . 0.0 112.351 0.092 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 m -127.96 144.32 51.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 84.9 p -171.56 141.88 1.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.1 m -102.87 172.51 6.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -156.38 124.63 5.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.6 m -132.83 172.53 12.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -125.41 150.68 47.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -126.02 79.47 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.07 152.66 10.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -155.47 145.21 15.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.6 0.714 . . . . 0.0 111.094 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 168.35 21.81 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.655 2.237 . . . . 0.0 112.327 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 20' ' ' LEU . 8.2 pt-20 -110.78 176.45 5.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.456 ' H ' ' CD2' ' A' ' 20' ' ' LEU . 3.3 mm? -38.1 152.88 0.15 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.639 0.733 . . . . 0.0 110.933 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 156.23 63.87 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.71 2.274 . . . . 0.0 112.306 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -130.74 149.1 72.65 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.587 0.708 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -33.02 17.53 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.736 2.291 . . . . 0.0 112.304 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.3 mmtt -143.88 121.37 11.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 26' ' ' ASN . 5.3 ttpm? -78.61 54.79 1.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.647 ' O ' HG22 ' A' ' 35' ' ' VAL . 28.2 p30 32.69 45.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -120.35 140.3 51.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.424 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 17.5 t -47.29 152.67 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.623 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -101.0 2.91 41.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -117.13 -44.95 2.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.422 ' HB3' ' CE1' ' A' ' 52' ' ' HIS . 30.0 p -110.25 -15.77 13.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 1.6 mpt_? 63.86 54.9 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.488 ' O ' HG13 ' A' ' 35' ' ' VAL . 30.7 tttp -113.26 141.59 46.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -56.38 108.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.647 HG22 ' O ' ' A' ' 26' ' ' ASN . 3.6 m -101.48 -26.7 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 43.74 -92.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 35' ' ' VAL . 7.3 mp -98.06 -27.95 13.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.917 0.389 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 35' ' ' VAL . 58.1 p -82.31 36.53 0.47 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.1 164.04 40.16 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.597 ' CZ ' ' HD2' ' A' ' 53' ' ' ARG . 1.2 t80 -139.77 116.34 10.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -91.01 113.62 25.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.405 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 23.9 t -85.52 166.65 16.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.429 ' HG3' ' CD2' ' A' ' 64' ' ' TYR . 6.8 mmm180 -66.39 -33.28 75.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 31.5 p -64.38 -5.68 5.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.93 44.72 7.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.463 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -132.62 169.64 16.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 0.0 110.828 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.583 HD11 HG21 ' A' ' 35' ' ' VAL . 19.5 tp -113.44 135.48 53.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.721 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 71.9 m-85 -134.14 152.42 51.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.509 ' HB3' HG12 ' A' ' 35' ' ' VAL . 30.5 p -83.17 22.72 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.38 -28.62 2.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.7 mt -73.25 -25.27 60.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.422 ' CE1' ' HB3' ' A' ' 31' ' ' CYS . 64.6 m80 -118.68 -4.77 10.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.597 ' HD2' ' CZ ' ' A' ' 40' ' ' PHE . 27.7 ptt85 -37.72 -47.92 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.481 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 53.4 m-85 -43.29 160.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.409 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 4.6 p -83.73 -34.41 24.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.847 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -90.01 18.69 5.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.481 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 47.1 mmtt -110.54 -39.62 4.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.721 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.7 p-80 -116.2 18.63 15.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 56.64 50.67 12.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.409 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 31.9 t -52.95 119.08 15.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.614 0.721 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' A' ' 62' ' ' TYR . 54.3 Cg_endo -69.77 -30.81 21.66 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.661 2.241 . . . . 0.0 112.386 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.447 ' CD2' ' HB3' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -44.76 171.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -134.18 -0.66 3.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.488 ' O ' ' C ' ' A' ' 65' ' ' LYS . 0.9 OUTLIER -35.34 -43.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.761 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 64' ' ' TYR . 11.7 pttp -31.0 -42.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.478 ' O ' ' C ' ' A' ' 67' ' ' GLU . . . -131.3 -54.17 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 66' ' ' ALA . 2.0 pt-20 32.2 42.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.72 -49.73 3.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.1 p -94.05 133.43 37.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.19 95.27 0.9 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.451 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -9.28 25.72 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.0 m -130.2 -52.53 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.4 t -131.36 109.26 10.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.511 179.973 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -153.93 174.19 14.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.885 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.4 p -167.95 163.02 13.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.02 153.7 24.9 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.436 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -170.49 120.53 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.3 p -163.28 145.75 10.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.474 ' HA3' ' C ' ' A' ' 8' ' ' PRO . . . -75.51 -114.77 0.11 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.473 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.474 ' C ' ' HA3' ' A' ' 7' ' ' GLY . 53.9 Cg_endo -69.75 178.83 24.06 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.358 0.008 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -153.59 108.83 3.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.9 t -168.89 130.14 1.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.6 m -156.38 141.11 17.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.809 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -152.36 105.46 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 m -163.4 143.64 8.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -174.66 131.5 0.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -152.91 125.28 8.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' A' ' 17' ' ' ALA . 17.7 tttm -88.25 144.09 26.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.455 ' N ' ' HG2' ' A' ' 16' ' ' LYS . . . -107.36 137.24 19.57 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.578 0.704 . . . . 0.0 111.091 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 167.42 24.5 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.356 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -152.69 138.44 17.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.44 ' H ' HD22 ' A' ' 20' ' ' LEU . 3.9 mm? -42.18 154.15 0.27 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.63 0.729 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 108.62 2.13 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.713 2.275 . . . . 0.0 112.354 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -110.56 141.69 24.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.626 0.727 . . . . 0.0 110.844 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -14.4 35.97 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.665 2.243 . . . . 0.0 112.319 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -141.82 110.45 6.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.918 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -50.81 -178.68 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -77.0 47.91 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.462 ' O ' HD23 ' A' ' 47' ' ' LEU . 26.1 mtt180 -138.94 148.99 44.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.7 t -49.55 151.89 1.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.632 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.58 4.09 43.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.623 ' SD ' ' CD2' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -119.73 -40.6 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.468 ' HB3' ' CE1' ' A' ' 52' ' ' HIS . 31.7 p -112.65 -16.89 12.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 64.07 54.49 1.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.486 ' O ' HG13 ' A' ' 35' ' ' VAL . 47.8 tttt -115.5 139.82 49.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -55.11 111.03 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.628 HG21 HD11 ' A' ' 47' ' ' LEU . 3.5 m -104.18 -43.24 8.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.471 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 55.78 -101.44 0.13 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.485 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.1 mt -84.64 -30.67 24.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.906 0.384 . . . . 0.0 110.898 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.1 p -84.08 32.3 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.51 159.06 38.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.605 ' CZ ' ' HD2' ' A' ' 53' ' ' ARG . 1.1 t80 -132.6 110.7 10.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.868 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 41' ' ' ASP . 3.3 p30 -89.22 113.66 24.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.3 t -86.55 166.19 15.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.592 ' HG3' ' CD2' ' A' ' 64' ' ' TYR . 2.8 mmp_? -66.14 -33.33 75.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 28.6 p -61.94 -8.47 5.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.64 42.7 7.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -131.84 169.19 16.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.886 0.374 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.628 HD11 HG21 ' A' ' 35' ' ' VAL . 18.4 tp -114.82 135.25 54.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.659 ' CE2' ' CG ' ' A' ' 58' ' ' HIS . 67.1 m-85 -133.54 151.61 51.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 1.019 ' SG ' HD12 ' A' ' 51' ' ' LEU . 31.4 p -82.99 21.44 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.05 -28.05 2.97 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 1.019 HD12 ' SG ' ' A' ' 49' ' ' CYS . 5.9 mt -74.17 -25.09 59.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.811 0.339 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.623 ' CD2' ' SD ' ' A' ' 30' ' ' MET . 67.7 m80 -119.23 -3.94 10.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.605 ' HD2' ' CZ ' ' A' ' 40' ' ' PHE . 22.6 ptt180 -38.33 -49.0 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.494 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 33.6 m-85 -39.96 152.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.422 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 2.8 p -77.68 -29.5 51.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -94.7 20.0 9.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.494 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 39.2 mmtm -116.17 -30.13 6.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.659 ' CG ' ' CE2' ' A' ' 48' ' ' PHE . 4.8 p-80 -122.67 18.56 10.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.3 m120 54.57 53.22 11.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 28.4 t -52.48 116.64 9.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.722 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.423 ' O ' ' O ' ' A' ' 62' ' ' TYR . 54.3 Cg_endo -69.68 -26.95 27.46 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.423 ' O ' ' O ' ' A' ' 61' ' ' PRO . 0.2 OUTLIER -47.48 178.18 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -125.83 -18.21 5.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 179.908 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.592 ' CD2' ' HG3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -36.98 -31.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.832 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 63' ' ' ASP . 19.9 pttt -39.06 -41.44 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.93 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.32 -39.55 12.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.55 92.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -162.89 124.6 2.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.3 m 39.32 41.37 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 122.54 136.51 4.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.66 -34.1 15.62 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.707 2.271 . . . . 0.0 112.362 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 73.2 m -144.15 136.35 26.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.5 m -92.13 42.37 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.475 -179.935 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.2 p -169.39 146.03 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.889 0.376 . . . . 0.0 110.881 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.3 p -55.52 150.91 11.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.09 136.95 5.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.526 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -148.56 114.41 5.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.873 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 m -143.83 172.02 13.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.37 -163.69 39.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.452 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 134.61 30.21 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.351 0.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -142.5 167.36 22.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.9 m -141.88 145.66 34.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.5 p -120.11 110.1 16.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -143.47 126.68 16.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 85.9 p -151.33 137.83 18.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -154.1 123.08 6.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -121.84 40.45 3.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -147.63 -178.46 6.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.477 ' N ' ' HD2' ' A' ' 16' ' ' LYS . . . -154.27 145.41 16.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.587 0.708 . . . . 0.0 111.119 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 107.76 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.722 2.281 . . . . 0.0 112.334 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -133.15 151.95 51.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.561 ' C ' HD12 ' A' ' 20' ' ' LEU . 2.4 pp -111.55 152.72 44.21 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.618 0.723 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 120.56 7.32 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.709 2.273 . . . . 0.0 112.336 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.481 ' C ' ' H ' ' A' ' 24' ' ' LYS . 25.8 mtmt -97.7 126.5 40.79 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.548 0.69 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.462 ' C ' ' HG3' ' A' ' 24' ' ' LYS . 53.9 Cg_endo -69.74 20.75 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.709 2.273 . . . . 0.0 112.34 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.517 ' CD ' ' O ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER 35.15 39.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -39.42 -58.56 1.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.945 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -135.0 34.96 3.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.624 ' O ' HD23 ' A' ' 47' ' ' LEU . 12.3 mtt85 -130.03 137.81 50.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.409 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 18.2 t -45.95 151.86 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.597 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.74 1.53 40.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.7 tpp -114.75 -46.97 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.6 p -106.85 -18.3 13.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? 64.86 54.91 1.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.52 ' O ' HG13 ' A' ' 35' ' ' VAL . 30.8 tttm -117.32 139.37 50.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -52.54 109.46 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.563 HG21 HD11 ' A' ' 47' ' ' LEU . 5.9 m -101.64 -41.35 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.452 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 63.86 -106.96 1.55 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -87.13 -33.9 19.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.938 0.399 . . . . 0.0 110.966 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.9 p -68.39 0.11 4.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -52.63 163.32 1.98 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.46 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.595 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.4 t80 -138.11 117.97 13.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 110.869 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -92.23 111.02 22.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.0 t -84.38 166.95 16.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.599 ' HG3' ' CD2' ' A' ' 64' ' ' TYR . 22.0 mmt180 -68.42 -33.44 74.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.464 ' HA ' ' CD1' ' A' ' 62' ' ' TYR . 31.5 p -62.57 -7.83 5.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.87 43.04 6.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 -133.16 170.66 15.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.624 HD23 ' O ' ' A' ' 27' ' ' ARG . 11.6 tp -117.24 135.48 53.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.718 ' CE2' ' CG ' ' A' ' 58' ' ' HIS . 48.8 m-85 -134.01 155.12 50.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.521 ' O ' HD12 ' A' ' 51' ' ' LEU . 26.6 p -81.85 22.95 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.82 -33.47 2.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 49' ' ' CYS . 5.8 mp -74.03 -19.45 60.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 53' ' ' ARG . 47.3 m80 -116.49 -12.28 11.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.595 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 21.3 ptt85 -35.58 -52.97 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.496 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 35.0 m-85 -38.83 156.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.413 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 18.2 p -79.85 -34.26 39.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -90.08 18.69 5.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.496 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 36.1 mmtm -112.22 -39.4 4.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.718 ' CG ' ' CE2' ' A' ' 48' ' ' PHE . 5.8 p-80 -116.87 18.2 14.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.838 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 55.65 50.97 13.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.416 ' HB2' ' NE2' ' A' ' 58' ' ' HIS . 32.6 t -51.37 119.24 12.37 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.43 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.9 Cg_endo -69.72 -27.16 27.02 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.654 2.236 . . . . 0.0 112.37 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.464 ' CD1' ' HA ' ' A' ' 44' ' ' CYS . 0.3 OUTLIER -47.61 178.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.6 OUTLIER -128.78 -16.51 4.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.599 ' CD2' ' HG3' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -35.44 -31.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 -179.832 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' A' ' 63' ' ' ASP . 11.6 ptpt -40.95 -44.29 2.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -112.65 46.33 1.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -86.69 40.34 0.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -121.99 -55.92 1.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.072 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.9 m -63.26 141.4 58.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 173.56 63.14 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -176.45 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.328 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.2 t -91.09 82.9 5.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.3 t -109.62 94.68 5.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.83 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.068 -0.851 . . . . 0.0 112.441 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 p -162.77 145.92 11.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.901 0.382 . . . . 0.0 110.866 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -165.73 173.66 10.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.18 -178.4 35.12 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.524 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.2 p -169.88 174.96 5.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 m -155.65 150.26 26.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.25 -166.19 0.5 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 178.86 24.04 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.335 0.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.6 m -137.0 146.49 45.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.4 p -137.55 174.56 10.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.7 t -145.04 108.0 4.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.838 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -139.9 153.9 47.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.0 t -120.83 118.85 31.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -171.68 131.95 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -138.37 108.77 6.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -103.54 166.65 10.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -163.11 129.38 2.33 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.554 0.692 . . . . 0.0 111.069 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 113.66 3.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 0.0 112.363 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -97.15 47.45 1.04 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.4 mt -76.61 158.19 81.31 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.611 0.719 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 134.7 28.69 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.665 2.243 . . . . 0.0 112.404 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.424 ' N ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -103.4 120.84 50.59 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.591 0.71 . . . . 0.0 110.926 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 2.69 3.31 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.26 . . . . 0.0 112.324 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.47 -33.94 2.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.435 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 57.2 mttt 38.82 40.93 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.435 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 1.5 p-10 46.58 49.14 13.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.446 ' O ' HD23 ' A' ' 47' ' ' LEU . 18.7 mtt180 -137.3 152.05 49.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.42 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 18.5 t -51.5 150.7 3.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.63 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -99.12 3.67 46.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.413 ' SD ' ' O ' ' A' ' 30' ' ' MET . 1.4 tpp -118.66 -44.53 2.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.0 p -108.18 -17.42 14.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 0.9 OUTLIER 65.48 54.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' O ' HG13 ' A' ' 35' ' ' VAL . 20.0 tttp -112.83 147.79 36.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.67 107.63 1.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.559 HG21 HD11 ' A' ' 47' ' ' LEU . 12.2 m -101.68 -39.52 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.41 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 50.15 -96.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.3 mt -88.28 -29.35 20.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.899 0.38 . . . . 0.0 110.925 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.7 p -85.07 33.47 0.54 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.62 157.13 35.76 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.533 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.589 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.1 t80 -131.65 119.77 21.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.868 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.57 111.56 23.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.407 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 23.6 t -83.66 166.99 17.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.561 ' HG3' ' CD2' ' A' ' 64' ' ' TYR . 7.3 mmm180 -67.2 -31.55 72.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 32.1 p -66.18 -4.63 7.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.84 45.36 7.77 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.496 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -134.41 169.92 16.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.559 HD11 HG21 ' A' ' 35' ' ' VAL . 20.1 tp -113.36 137.79 51.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.698 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 70.4 m-85 -135.87 153.94 51.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.978 ' SG ' HD12 ' A' ' 51' ' ' LEU . 30.1 p -83.5 24.59 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.18 -29.58 2.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.506 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.978 HD12 ' SG ' ' A' ' 49' ' ' CYS . 6.1 mt -72.91 -25.97 61.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.857 0.36 . . . . 0.0 110.94 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -117.46 -3.99 11.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.589 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 33.6 ptt180 -38.3 -41.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.483 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 55.5 m-85 -48.98 -179.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.412 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 60.7 p -97.14 -55.56 2.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.821 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -0.55 4.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 29.8 mmtm -87.71 -45.98 9.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.698 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.2 p-80 -113.71 19.0 17.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 54.96 49.39 17.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.412 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 34.1 t -48.85 119.77 8.62 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.584 0.707 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.414 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.4 Cg_endo -69.82 -27.8 25.76 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.331 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.464 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -46.18 174.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.963 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.42 -7.28 4.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.561 ' CD2' ' HG3' ' A' ' 43' ' ' ARG . 0.3 OUTLIER -38.67 -37.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 -179.859 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -33.39 -38.53 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 64' ' ' TYR . . . -125.81 51.02 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -83.72 91.74 7.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -172.99 151.86 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.09 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.0 t -118.98 127.37 53.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 118.31 157.78 10.65 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.536 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -2.24 9.81 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.729 2.286 . . . . 0.0 112.307 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 t -39.41 121.1 1.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.3 t -57.89 141.81 48.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.435 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.895 0.379 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 16.3 t -47.88 151.2 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.62 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -101.3 2.01 39.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.468 ' CE ' ' HA ' ' A' ' 58' ' ' HIS . 1.6 tpp -115.2 -42.91 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.448 ' C ' ' HD3' ' A' ' 32' ' ' ARG . 32.1 p -110.45 -16.57 13.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.448 ' HD3' ' C ' ' A' ' 31' ' ' CYS . 0.8 OUTLIER 64.2 54.66 1.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.554 ' O ' HG13 ' A' ' 35' ' ' VAL . 6.6 ttmm -117.81 148.07 42.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.463 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -59.58 111.72 1.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 33' ' ' LYS . 4.5 m -111.23 -31.69 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.178 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.84 -105.66 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 mt -76.15 -31.87 58.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.875 0.369 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 35' ' ' VAL . 80.7 p -82.68 33.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.4 165.33 37.17 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.455 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.59 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.5 t80 -139.06 118.95 13.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -91.47 113.4 25.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.825 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.415 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 24.2 t -85.36 166.37 16.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.439 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . 20.3 mmt180 -66.89 -31.34 71.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 31.1 p -67.25 -2.96 6.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.88 45.11 8.6 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.401 ' ND2' ' CE2' ' A' ' 29' ' ' PHE . 40.7 m-20 -133.5 170.64 15.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.855 0.359 . . . . 0.0 110.867 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.48 HD12 ' H ' ' A' ' 40' ' ' PHE . 26.5 tp -114.8 137.53 51.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.71 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 60.5 m-85 -137.04 153.53 50.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.545 ' HB3' HG12 ' A' ' 35' ' ' VAL . 28.0 p -81.12 20.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.48 -31.26 2.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.7 mp -74.04 -20.83 60.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -118.14 -8.52 10.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.59 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 22.1 ptt85 -37.66 -50.8 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.489 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 47.8 m-85 -39.88 158.15 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.402 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 3.3 p -83.16 -29.18 28.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.56 19.04 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.821 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.489 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 31.5 mmtm -110.77 -42.14 4.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.71 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 7.0 p-80 -114.25 18.98 16.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 56.31 50.91 12.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.402 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 31.7 t -52.59 120.84 19.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.629 0.728 . . . . 0.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.424 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.4 Cg_endo -69.74 -31.68 20.12 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.695 2.264 . . . . 0.0 112.338 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -45.15 172.5 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.503 ' O ' HD23 ' A' ' 47' ' ' LEU . 20.0 mtt180 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.87 0.366 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.409 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 17.8 t -45.45 151.27 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.63 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -101.67 2.17 38.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.413 ' SD ' ' O ' ' A' ' 30' ' ' MET . 1.2 tpp -114.02 -45.88 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.8 p -109.3 -18.77 13.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? 65.73 55.02 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.573 ' O ' HG13 ' A' ' 35' ' ' VAL . 40.4 tttt -118.49 133.3 55.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -45.21 109.62 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.573 HG13 ' O ' ' A' ' 33' ' ' LYS . 8.3 m -103.48 -36.2 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 50.98 -112.86 1.85 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.6 mp -75.77 -28.95 58.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.859 0.361 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.8 p -83.35 29.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.08 163.67 41.72 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.482 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.597 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.4 t80 -137.47 117.88 13.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.862 0.363 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -92.84 111.64 23.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.2 t -84.3 166.25 17.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -68.35 -31.67 71.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.3 p -63.98 -6.49 6.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.75 43.23 7.35 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -134.58 170.31 15.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 27' ' ' ARG . 20.1 tp -115.04 140.23 49.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.7 ' CE2' ' CG ' ' A' ' 58' ' ' HIS . 60.1 m-85 -138.58 153.25 48.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.57 ' HB3' HG12 ' A' ' 35' ' ' VAL . 26.4 p -81.37 22.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.65 -30.98 2.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 49' ' ' CYS . 6.5 mp -75.72 -21.0 57.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.812 0.339 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -116.07 -10.54 11.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.597 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 23.9 ptt180 -37.27 -50.45 1.0 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.502 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 53.6 m-85 -39.81 158.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.917 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.41 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 5.2 p -81.13 -32.24 33.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.882 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -92.88 21.46 5.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.502 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 31.2 mmtm -114.99 -36.97 4.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.7 ' CG ' ' CE2' ' A' ' 48' ' ' PHE . 5.6 p-80 -119.66 18.77 12.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 55.28 50.9 14.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.41 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 29.2 t -50.87 118.96 10.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.676 0.75 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.423 ' O ' ' O ' ' A' ' 62' ' ' TYR . 54.0 Cg_endo -69.7 -30.12 23.06 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.718 2.279 . . . . 0.0 112.347 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.423 ' O ' ' O ' ' A' ' 61' ' ' PRO . 0.2 OUTLIER -46.47 175.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.955 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.869 0.366 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.417 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 17.3 t -47.5 152.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.619 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -101.61 2.42 38.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.412 ' SD ' ' O ' ' A' ' 30' ' ' MET . 1.5 tpp -115.05 -44.49 3.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.5 p -109.7 -19.05 13.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.0 mmt-85 67.65 54.39 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.507 ' O ' HG13 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -115.99 148.1 40.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.467 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 0.6 OUTLIER -60.55 110.89 1.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.856 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.514 HG12 ' HB3' ' A' ' 49' ' ' CYS . 6.9 m -109.07 -32.9 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 46.48 -112.06 0.8 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.453 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.9 mt -74.45 -27.77 60.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.914 0.387 . . . . 0.0 110.954 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.6 p -84.94 33.13 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.57 166.87 40.14 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.596 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.4 t80 -139.46 116.25 10.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.827 0.346 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.85 113.17 24.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.408 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 22.7 t -84.82 166.14 17.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -66.46 -32.15 73.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 32.0 p -65.78 -4.81 7.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.64 44.11 8.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.415 ' ND2' ' CE2' ' A' ' 29' ' ' PHE . 46.8 m-20 -132.57 171.36 13.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.372 . . . . 0.0 110.862 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.486 HD12 ' H ' ' A' ' 40' ' ' PHE . 24.7 tp -116.39 134.25 55.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.689 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 55.1 m-85 -133.62 154.32 50.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.514 ' HB3' HG12 ' A' ' 35' ' ' VAL . 27.4 p -81.58 22.81 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.5 -33.2 2.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.6 mp -73.24 -19.94 60.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.348 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 53' ' ' ARG . 46.1 m80 -117.55 -10.71 10.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.596 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 20.8 ptt85 -36.65 -50.58 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.481 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 40.0 m-85 -41.63 155.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.415 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 16.2 p -80.69 -29.91 36.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -93.07 19.21 8.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.481 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 56.1 mmtt -112.5 -39.67 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.689 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.3 p-80 -116.66 18.15 15.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.803 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 56.22 51.7 11.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 29.8 t -53.23 120.76 21.8 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.605 0.717 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.7 Cg_endo -69.77 -30.84 21.59 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.712 2.275 . . . . 0.0 112.33 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.422 ' O ' ' O ' ' A' ' 61' ' ' PRO . 0.1 OUTLIER -45.3 172.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.448 ' O ' HD23 ' A' ' 47' ' ' LEU . 16.4 mtt180 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.865 0.364 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.423 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 17.5 t -46.17 150.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.623 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.34 3.15 43.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.1 tpp -115.21 -46.74 2.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.0 p -107.1 -17.7 14.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 3.9 mpt_? 66.52 53.89 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -113.83 151.38 32.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.461 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 11.4 tppt? -65.81 107.07 1.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.489 HG12 ' HB3' ' A' ' 49' ' ' CYS . 9.3 m -103.06 -35.52 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.123 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.6 -105.2 0.1 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -79.16 -34.0 43.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.4 p -81.94 36.62 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -88.12 165.27 34.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.599 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.2 t80 -137.51 121.42 17.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.916 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -95.04 113.56 25.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.409 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 23.5 t -84.99 166.33 16.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -67.82 -33.36 74.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.8 p -62.83 -7.7 5.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.64 43.08 7.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.45 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -133.11 172.46 12.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.46 HD11 HG21 ' A' ' 35' ' ' VAL . 23.0 tp -115.33 140.0 49.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.689 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 61.4 m-85 -138.89 153.75 48.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.496 ' O ' HD12 ' A' ' 51' ' ' LEU . 27.5 p -82.15 22.96 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.26 -33.21 2.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 49' ' ' CYS . 6.1 mp -73.27 -18.86 61.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.33 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -118.74 -10.12 10.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.816 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.599 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 23.3 ptt180 -37.1 -51.41 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.488 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 42.2 m-85 -39.96 154.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.415 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 3.7 p -81.45 -27.28 34.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.888 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -95.57 18.07 13.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.488 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 48.2 mmtt -110.62 -43.53 3.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.689 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 7.2 p-80 -111.67 18.84 18.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 56.08 51.3 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 32.2 t -53.22 120.5 20.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.598 0.713 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.419 ' O ' ' O ' ' A' ' 62' ' ' TYR . 54.2 Cg_endo -69.74 -30.65 22.02 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.384 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.419 ' O ' ' O ' ' A' ' 61' ' ' PRO . 0.2 OUTLIER -44.96 171.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.2 mtt-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.81 0.338 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 19.6 t -48.38 149.94 1.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.637 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -98.75 4.56 47.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.1 tpp -117.82 -47.63 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.7 p -106.65 -17.98 14.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 14.2 mmt180 67.0 54.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.465 ' O ' HG13 ' A' ' 35' ' ' VAL . 59.6 tttt -113.76 144.3 43.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -60.07 108.2 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 33' ' ' LYS . 10.6 m -102.12 -39.81 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.424 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 52.41 -100.77 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.529 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.414 ' N ' HD22 ' A' ' 37' ' ' LEU . 2.9 mm? -85.07 -31.87 23.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.875 0.369 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.0 p -83.32 36.05 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.17 157.44 30.6 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.6 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 0.8 OUTLIER -129.72 119.82 24.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.903 0.383 . . . . 0.0 110.886 -179.897 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -93.3 111.09 22.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.453 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 21.1 t -82.03 167.73 18.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -70.32 -29.28 65.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 31.3 p -68.44 -0.77 5.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.83 46.08 9.94 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -135.13 170.89 15.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 27.7 tp -114.63 137.33 52.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.691 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 67.0 m-85 -135.65 154.41 51.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 1.03 ' SG ' HD12 ' A' ' 51' ' ' LEU . 30.2 p -84.09 23.16 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.63 -29.19 2.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 1.03 HD12 ' SG ' ' A' ' 49' ' ' CYS . 4.9 mt -73.32 -24.64 60.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 53' ' ' ARG . 65.8 m80 -117.74 -5.68 11.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.6 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 28.7 ptt85 -37.46 -49.03 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.491 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 43.7 m-85 -44.2 152.7 0.17 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.434 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 7.1 p -78.6 -31.13 46.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -91.15 19.41 5.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.491 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 54.5 mmtt -112.8 -41.57 3.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.691 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 7.0 p-80 -113.15 18.92 17.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 56.46 50.37 13.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 32.7 t -53.71 120.89 24.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.655 0.74 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -32.43 18.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.724 2.283 . . . . 0.0 112.336 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.21 168.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.913 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.503 ' O ' HD23 ' A' ' 47' ' ' LEU . 20.3 mtt180 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.887 0.375 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.7 t -50.56 152.48 1.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.598 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -101.34 1.18 38.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.401 ' SD ' ' O ' ' A' ' 30' ' ' MET . 1.3 tpp -114.88 -46.62 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.6 p -106.47 -17.94 14.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? 64.14 54.6 1.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.526 ' O ' HG13 ' A' ' 35' ' ' VAL . 7.8 ttpp -117.59 146.45 43.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.485 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -53.86 118.76 4.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.824 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 33' ' ' LYS . 3.0 m -116.16 -41.55 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.438 ' N ' ' CG2' ' A' ' 35' ' ' VAL . . . 63.14 -113.0 5.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.544 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.1 mp -84.48 -32.44 23.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.939 0.399 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.8 p -67.76 -3.25 8.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.427 ' HA3' HD11 ' A' ' 47' ' ' LEU . . . -51.59 166.82 0.77 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.594 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.4 t80 -134.99 117.78 16.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.358 . . . . 0.0 110.886 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.73 108.14 19.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.2 t -82.13 166.4 19.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -67.99 -33.19 74.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.424 ' HA ' ' CD1' ' A' ' 62' ' ' TYR . 31.4 p -63.73 -6.84 6.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.93 43.93 6.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 -133.03 167.11 20.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 27' ' ' ARG . 19.8 tp -115.29 131.7 56.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.727 ' CE2' ' CG ' ' A' ' 58' ' ' HIS . 45.1 m-85 -130.98 155.32 47.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.444 ' O ' HD12 ' A' ' 51' ' ' LEU . 26.7 p -80.79 19.76 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.94 -30.48 3.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.456 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 49' ' ' CYS . 5.2 mp -75.9 -21.11 57.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 53' ' ' ARG . 48.2 m80 -115.09 -11.37 12.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.594 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 24.0 ptt180 -36.38 -49.38 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.522 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 46.5 m-85 -41.66 156.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.414 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 8.2 p -78.24 -38.22 43.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.85 19.99 2.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.522 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 19.5 mmtp -113.25 -42.21 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.727 ' CG ' ' CE2' ' A' ' 48' ' ' PHE . 5.8 p-80 -115.31 18.63 16.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.809 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 55.5 51.5 12.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.414 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 32.2 t -52.41 118.55 12.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.607 0.718 . . . . 0.0 110.852 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.1 Cg_endo -69.82 -28.89 24.41 Favored 'Trans proline' 0 C--O 1.231 0.131 0 C-N-CA 122.69 2.26 . . . . 0.0 112.311 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.424 ' CD1' ' HA ' ' A' ' 44' ' ' CYS . 0.1 OUTLIER -46.83 175.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.3 mtt180 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.864 0.364 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 17.7 t -45.41 148.88 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.63 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -99.53 2.47 44.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -114.02 -45.89 3.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.1 p -108.24 -20.46 13.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.426 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 12.2 mmm180 68.4 53.34 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.56 ' O ' HG13 ' A' ' 35' ' ' VAL . 7.1 ttpt -118.44 137.79 52.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.91 118.49 2.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.56 HG13 ' O ' ' A' ' 33' ' ' LYS . 5.8 m -114.06 -38.1 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.36 -108.45 0.31 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.548 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.52 -36.21 65.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.908 0.385 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.8 p -81.7 36.61 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -91.06 157.48 25.08 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.616 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.2 t80 -129.67 126.98 39.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.359 . . . . 0.0 110.884 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -100.0 112.14 24.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.818 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.42 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 22.8 t -82.98 167.4 17.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 60.3 mmt-85 -70.53 -33.16 70.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.804 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.0 p -63.41 -6.79 5.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.25 43.97 6.82 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -133.55 169.76 16.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.449 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 52.7 tp -112.46 141.11 46.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.691 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 63.8 m-85 -141.13 152.45 44.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.466 ' HB3' HG12 ' A' ' 35' ' ' VAL . 27.4 p -82.08 23.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.0 -32.74 2.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.467 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 49' ' ' CYS . 6.9 mp -73.23 -21.07 60.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.85 0.357 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -117.69 -8.81 10.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.616 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 22.6 ptt180 -37.86 -50.05 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.482 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 51.4 m-85 -40.82 155.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.423 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 6.5 p -80.59 -30.39 36.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.836 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -93.45 20.0 7.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.482 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 33.0 mmtm -113.08 -38.5 4.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.691 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.9 p-80 -117.35 18.69 14.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 55.99 52.13 11.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.423 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 31.9 t -53.83 120.51 23.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.649 0.737 . . . . 0.0 110.832 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' A' ' 62' ' ' TYR . 54.2 Cg_endo -69.76 -28.36 25.33 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.636 2.224 . . . . 0.0 112.392 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.428 ' O ' ' O ' ' A' ' 61' ' ' PRO . 0.2 OUTLIER -46.03 174.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.5 mtt-85 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.855 0.36 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 20.2 t -49.21 148.68 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.643 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -97.2 5.21 50.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.6 tpp -119.57 -46.8 2.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.401 ' HB3' ' CE1' ' A' ' 52' ' ' HIS . 31.8 p -106.66 -17.05 14.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 0.6 OUTLIER 65.35 54.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.853 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.472 ' O ' HG13 ' A' ' 35' ' ' VAL . 36.0 tttp -112.9 143.14 44.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.39 106.45 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.487 HG12 ' CB ' ' A' ' 49' ' ' CYS . 14.3 m -100.12 -39.16 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.069 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.406 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 52.27 -99.96 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -87.21 -29.86 21.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.904 0.383 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 79.1 p -83.22 32.68 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.0 156.99 38.7 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.52 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.599 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -131.38 121.57 24.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.915 -179.886 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -94.23 115.59 27.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.806 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.473 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 19.8 t -86.07 168.16 14.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 62.9 mmt-85 -68.85 -28.91 67.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.1 p -69.24 -0.82 6.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.2 45.48 11.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.523 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -134.28 173.07 12.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.827 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.45 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 33.4 tp -114.73 140.22 49.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.943 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.689 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 70.5 m-85 -138.31 154.73 49.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.885 ' SG ' HD12 ' A' ' 51' ' ' LEU . 31.3 p -84.41 24.26 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.58 -31.42 2.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.885 HD12 ' SG ' ' A' ' 49' ' ' CYS . 7.2 mt -71.69 -24.12 61.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.89 0.376 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.401 ' CE1' ' HB3' ' A' ' 31' ' ' CYS . 68.1 m80 -119.45 -2.9 10.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.599 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 28.5 ptt180 -38.58 -43.87 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.481 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 46.0 m-85 -48.07 178.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.417 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 15.8 p -96.65 -56.71 2.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -65.72 -3.9 5.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.481 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 28.0 mmtt -84.11 -45.12 13.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.689 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.3 p-80 -114.41 18.8 16.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 55.42 52.52 11.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 33.2 t -53.81 121.76 30.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.662 0.744 . . . . 0.0 110.845 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.9 Cg_endo -69.77 -34.33 14.76 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.379 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.406 ' O ' ' O ' ' A' ' 61' ' ' PRO . 0.1 OUTLIER -45.55 172.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.1 t0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.855 179.896 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.867 0.365 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.412 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 18.9 t -44.35 152.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.632 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -99.7 3.63 45.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.9 tpp -118.97 -46.14 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.424 ' C ' ' HD3' ' A' ' 32' ' ' ARG . 31.8 p -108.13 -15.21 14.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.424 ' HD3' ' C ' ' A' ' 31' ' ' CYS . 2.9 mpp_? 61.97 54.95 2.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.502 ' O ' HG13 ' A' ' 35' ' ' VAL . 24.4 tttp -113.33 144.2 43.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -55.38 108.28 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 33' ' ' LYS . 10.4 m -100.59 -42.9 10.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.489 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 68.13 -107.19 1.96 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tt -94.6 -34.49 12.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.94 0.4 . . . . 0.0 110.925 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.9 p -63.5 -4.3 2.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -41.36 159.88 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.439 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.603 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.2 t80 -133.39 113.78 12.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -87.74 115.54 25.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.408 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 24.7 t -87.66 166.69 14.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -64.63 -33.11 75.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.8 p -65.94 -4.36 6.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.1 45.46 8.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.458 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.404 ' ND2' ' CE2' ' A' ' 29' ' ' PHE . 42.6 m-20 -131.83 171.21 13.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.448 HD11 HG21 ' A' ' 35' ' ' VAL . 20.1 tp -115.86 131.81 56.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.716 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 66.7 m-85 -130.22 154.77 47.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.92 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.951 ' SG ' HD12 ' A' ' 51' ' ' LEU . 30.8 p -83.69 23.7 0.95 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.67 -29.9 2.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.449 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.951 HD12 ' SG ' ' A' ' 49' ' ' CYS . 5.4 mt -73.11 -23.77 60.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' ARG . 67.0 m80 -118.29 -6.77 10.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.603 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 24.4 ptt180 -36.39 -48.56 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.488 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 37.5 m-85 -43.97 156.24 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.408 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 2.8 p -81.23 -31.32 33.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -92.11 19.56 6.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.488 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 57.5 mmtt -112.5 -38.82 4.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.716 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.7 p-80 -115.62 18.5 15.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 56.29 50.44 13.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.408 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 30.6 t -51.6 120.07 14.69 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.622 0.725 . . . . 0.0 110.867 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -31.03 21.14 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.322 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -44.99 168.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.433 ' O ' HD23 ' A' ' 47' ' ' LEU . 20.9 mtt180 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.837 0.351 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 16.6 t -50.49 150.53 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.622 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.65 1.82 40.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.482 ' CE ' ' HA ' ' A' ' 58' ' ' HIS . 0.5 OUTLIER -114.86 -43.57 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.5 p -108.8 -19.81 13.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.9 mmm-85 68.26 54.79 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.3 tttt -117.6 149.14 41.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -62.52 107.13 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.511 HG23 ' N ' ' A' ' 36' ' ' GLY . 11.2 m -94.22 -44.47 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.511 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 67.76 -103.65 1.01 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.457 HD22 ' HA ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -94.54 -34.53 12.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.924 0.393 . . . . 0.0 110.897 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.3 p -67.85 -0.41 4.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.179 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -49.56 166.45 0.34 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.594 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.0 OUTLIER -142.49 121.76 13.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.866 -179.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.31 114.57 26.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.4 t -85.63 166.38 16.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.453 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . 25.9 mmt-85 -65.79 -33.82 76.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.2 p -65.45 -5.23 7.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.08 44.43 7.61 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.433 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -131.66 167.96 18.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.868 0.366 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.525 HD12 ' H ' ' A' ' 40' ' ' PHE . 24.0 tp -113.89 135.4 54.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.685 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 51.5 m-85 -135.98 155.81 49.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.486 ' O ' HD12 ' A' ' 51' ' ' LEU . 26.5 p -80.08 21.73 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.32 -34.53 2.44 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 49' ' ' CYS . 6.4 mp -73.65 -18.03 61.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.904 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 54' ' ' TYR . 43.1 m80 -116.82 -13.59 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.594 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 14.9 ptt180 -39.76 -27.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.584 ' CD2' ' HG3' ' A' ' 57' ' ' LYS . 0.9 OUTLIER -59.01 152.92 18.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.814 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.408 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 14.5 p -76.68 -34.26 58.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -89.58 15.48 9.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.834 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.584 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 38.1 mmtt -107.29 -50.46 3.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.685 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.9 p-80 -107.32 18.82 21.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 55.8 48.17 18.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.416 ' HB2' ' NE2' ' A' ' 58' ' ' HIS . 34.1 t -48.73 118.92 7.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.628 0.728 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -33.58 16.42 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.737 2.291 . . . . 0.0 112.371 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -44.42 168.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.906 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.7 t0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 179.918 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.2 mtt85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.898 0.38 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 19.6 t -43.68 149.83 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.629 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -99.2 4.23 46.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.838 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.3 tpp -116.39 -46.7 2.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.0 p -108.27 -19.12 13.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 16.0 mmm180 68.64 54.9 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.5 ' O ' HG13 ' A' ' 35' ' ' VAL . 9.1 ttpp -114.21 141.57 47.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.68 108.8 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.5 HG13 ' O ' ' A' ' 33' ' ' LYS . 6.3 m -102.54 -39.42 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.151 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.417 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 51.55 -98.35 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.7 mt -86.26 -31.05 21.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.859 0.362 . . . . 0.0 110.927 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.5 p -83.62 32.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.43 157.58 36.66 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.461 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.598 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.0 OUTLIER -132.14 120.29 22.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.834 0.35 . . . . 0.0 110.933 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -94.29 113.11 24.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.432 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 23.0 t -84.64 166.99 16.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.1 mmp_? -68.11 -31.22 70.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.0 p -65.23 -5.37 6.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.99 44.09 7.85 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -133.97 172.24 13.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.451 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 28.5 tp -114.37 140.91 48.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.702 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 72.2 m-85 -138.66 153.31 48.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.942 ' SG ' HD12 ' A' ' 51' ' ' LEU . 31.3 p -83.88 23.16 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.89 -29.14 2.42 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.942 HD12 ' SG ' ' A' ' 49' ' ' CYS . 7.5 mt -73.32 -24.79 60.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.847 0.356 . . . . 0.0 110.944 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -118.67 -3.97 10.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.598 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 32.5 ptt180 -38.79 -48.15 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.484 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 48.0 m-85 -44.25 156.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.427 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 5.0 p -81.32 -33.53 32.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.802 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -89.67 18.04 5.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.484 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 59.4 mmtt -110.6 -41.88 4.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.702 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.9 p-80 -112.73 19.13 17.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 56.15 51.28 12.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.427 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 32.8 t -53.73 120.6 23.75 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.646 0.736 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.415 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.7 Cg_endo -69.76 -30.92 21.48 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.415 ' O ' ' O ' ' A' ' 61' ' ' PRO . 0.1 OUTLIER -45.43 172.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.841 0.353 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.424 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 18.9 t -45.11 150.79 0.38 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.644 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -99.78 5.05 45.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.421 ' CE ' ' HA ' ' A' ' 58' ' ' HIS . 1.5 tpp -118.93 -44.43 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.432 ' HB3' ' CE1' ' A' ' 52' ' ' HIS . 31.2 p -110.5 -17.51 13.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 16.1 mmt180 66.94 55.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.438 ' O ' HG13 ' A' ' 35' ' ' VAL . 30.2 tttt -117.9 130.72 56.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -49.05 113.86 0.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.708 HG21 HD11 ' A' ' 47' ' ' LEU . 3.6 m -104.58 -44.08 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.479 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 69.13 -107.51 2.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tp -89.16 -35.51 16.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.9 0.381 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 24.3 p -69.1 1.09 3.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -51.7 166.1 0.93 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.458 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.606 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.2 t80 -136.56 114.1 10.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.886 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -88.7 113.95 24.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.435 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 23.3 t -84.57 167.53 16.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.844 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.457 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . 20.8 mmt180 -68.56 -29.98 68.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.3 p -68.33 -1.44 6.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.47 45.75 9.47 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.509 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -133.74 169.83 16.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.859 0.361 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.708 HD11 HG21 ' A' ' 35' ' ' VAL . 18.3 tp -113.92 136.57 52.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.693 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 69.0 m-85 -135.53 153.44 51.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.474 ' HB3' HG12 ' A' ' 35' ' ' VAL . 31.3 p -84.15 22.93 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.07 -28.31 2.59 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.51 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.5 mt -73.34 -25.72 60.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.821 0.343 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.432 ' CE1' ' HB3' ' A' ' 31' ' ' CYS . 65.2 m80 -118.7 -2.2 10.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.606 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 35.3 ptt85 -39.67 -47.91 2.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.49 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 40.9 m-85 -43.37 160.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.428 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 3.5 p -84.09 -33.48 24.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.818 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -90.37 18.32 6.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.49 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 24.3 mmtp -110.71 -39.75 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.693 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.8 p-80 -115.54 18.95 15.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 56.54 50.06 13.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.428 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 33.7 t -52.86 120.14 18.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.668 0.747 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.7 Cg_endo -69.74 -32.44 18.65 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.698 2.266 . . . . 0.0 112.33 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.457 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -44.37 169.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.849 179.922 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.5 t -45.08 152.3 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.639 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.99 2.15 40.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.41 ' SD ' ' O ' ' A' ' 30' ' ' MET . 1.6 tpp -117.04 -44.33 2.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.0 p -108.17 -16.79 14.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 63.12 54.94 2.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.502 ' O ' HG13 ' A' ' 35' ' ' VAL . 42.0 tttt -119.95 133.57 55.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -47.32 119.81 2.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 33' ' ' LYS . 5.9 m -112.85 -36.3 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.59 -109.13 0.83 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.447 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -77.54 -30.66 52.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.874 0.368 . . . . 0.0 110.915 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.6 p -82.75 32.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.73 151.75 25.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.531 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.597 ' CD1' ' HB2' ' A' ' 53' ' ' ARG . 0.6 OUTLIER -126.71 119.34 26.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 0.0 110.887 -179.848 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -95.15 116.98 29.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.8 t -89.26 165.57 14.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.412 ' NE ' ' HA ' ' A' ' 43' ' ' ARG . 11.3 mmp_? -64.91 -34.74 79.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.449 ' HA ' ' CD1' ' A' ' 62' ' ' TYR . 29.2 p -61.71 -8.58 4.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.44 42.09 7.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.455 ' ND2' ' CE2' ' A' ' 29' ' ' PHE . 34.4 m-20 -130.25 168.67 16.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.38 . . . . 0.0 110.87 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.46 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 42.0 tp -113.98 137.55 51.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.711 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 66.2 m-85 -135.32 152.78 51.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.462 ' HB3' HG12 ' A' ' 35' ' ' VAL . 29.0 p -83.54 26.24 0.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.4 -38.31 2.44 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.473 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 mp -69.28 -18.92 63.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.838 0.352 . . . . 0.0 110.932 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -120.98 -4.83 9.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.597 ' HB2' ' CD1' ' A' ' 40' ' ' PHE . 28.3 ptt180 -39.02 -48.24 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.489 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 55.5 m-85 -45.11 172.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.483 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 0.7 OUTLIER -90.78 -49.86 6.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.887 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -73.57 4.94 4.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.489 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 29.6 mmtt -96.04 -31.45 13.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.711 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 5.5 p-80 -126.12 18.71 7.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 55.33 49.03 17.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.483 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 24.6 t -45.16 118.62 3.8 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.613 0.721 . . . . 0.0 110.925 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.8 Cg_endo -69.72 -25.84 28.37 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.375 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.449 ' CD1' ' HA ' ' A' ' 44' ' ' CYS . 0.2 OUTLIER -50.93 -173.92 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.8 mtt-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.896 0.379 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.421 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 18.9 t -48.65 150.42 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.637 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -98.49 4.4 48.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.6 tpp -118.87 -45.66 2.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.9 p -106.35 -18.9 13.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.0 mmm-85 68.25 47.17 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.463 ' HG2' ' N ' ' A' ' 34' ' ' LYS . 32.5 tttp -105.71 151.31 24.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.463 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -65.28 111.91 3.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.847 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.434 HG23 ' N ' ' A' ' 36' ' ' GLY . 7.9 m -105.09 -40.91 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.156 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.434 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 50.74 -95.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.76 -31.47 17.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.842 0.353 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.3 p -82.67 32.86 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.136 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.06 153.1 32.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.596 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -127.6 119.76 26.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 110.887 -179.877 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -93.34 113.79 26.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.412 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 24.5 t -85.24 167.17 15.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.424 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . 47.8 mmt-85 -67.9 -31.21 70.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.7 p -67.31 -2.27 5.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.62 46.55 8.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.531 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -134.25 168.91 18.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 0.0 110.962 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.451 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 28.2 tp -113.94 134.97 54.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.715 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 65.8 m-85 -133.15 155.79 48.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 1.02 ' SG ' HD12 ' A' ' 51' ' ' LEU . 30.6 p -84.64 23.88 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.36 -28.72 2.3 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 1.02 HD12 ' SG ' ' A' ' 49' ' ' CYS . 5.0 mt -74.4 -24.91 59.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -117.32 -4.55 11.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.596 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 23.5 ptt180 -39.09 -47.85 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.836 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.491 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 44.3 m-85 -44.79 156.11 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.421 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 6.3 p -80.8 -32.63 35.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -90.37 19.16 5.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.491 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 12.1 mmtp -111.98 -42.6 3.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.715 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.8 p-80 -112.34 18.43 18.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 56.73 50.28 12.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.421 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 32.2 t -53.0 120.75 20.5 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.603 0.716 . . . . 0.0 110.923 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -32.02 19.36 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.347 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.424 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -45.64 168.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.933 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.884 0.374 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.9 t -42.74 151.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.612 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -101.36 2.26 39.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.582 ' SD ' ' CD2' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -118.0 -38.09 3.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.862 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.5 p -113.8 -18.12 11.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 64.45 54.87 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.44 ' O ' HG13 ' A' ' 35' ' ' VAL . 28.0 tttm -121.49 135.94 54.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -50.78 114.13 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.509 HG12 ' HB3' ' A' ' 49' ' ' CYS . 6.1 m -103.95 -35.65 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 54.23 -109.8 1.31 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.22 -29.38 42.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.858 0.361 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.6 p -83.37 31.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.54 156.62 33.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.599 ' CZ ' ' HD2' ' A' ' 53' ' ' ARG . 1.0 OUTLIER -131.2 120.55 23.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.892 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -95.93 112.27 24.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.3 t -84.2 167.22 16.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.462 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . 13.8 mmm-85 -68.84 -30.88 69.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 46' ' ' ASN . 24.9 p -68.23 -0.4 4.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.19 47.33 9.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.498 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.468 ' ND2' ' CE2' ' A' ' 29' ' ' PHE . 33.2 m-20 -134.44 167.1 21.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.504 HD11 HG21 ' A' ' 35' ' ' VAL . 38.5 tp -113.73 136.79 52.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.672 ' CE2' ' CG ' ' A' ' 58' ' ' HIS . 57.1 m-85 -136.61 151.46 49.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.509 ' HB3' HG12 ' A' ' 35' ' ' VAL . 28.1 p -80.62 19.13 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.24 -29.18 3.98 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 mp -75.87 -22.94 55.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.832 0.349 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.582 ' CD2' ' SD ' ' A' ' 30' ' ' MET . 54.7 m80 -117.98 -6.83 10.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.599 ' HD2' ' CZ ' ' A' ' 40' ' ' PHE . 19.6 ptt85 -39.57 -51.79 2.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.494 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 35.3 m-85 -38.52 155.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.43 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 66.0 p -79.34 -31.81 43.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -91.96 18.88 7.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.494 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 40.8 mmtm -114.98 -35.51 4.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.672 ' CG ' ' CE2' ' A' ' 48' ' ' PHE . 5.8 p-80 -119.08 17.01 13.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 55.94 54.24 8.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 32.9 t -56.15 117.63 17.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.657 0.741 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.6 Cg_endo -69.84 -33.02 17.12 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.667 2.245 . . . . 0.0 112.318 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.462 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -45.7 172.92 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.945 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.874 179.912 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.667 ' O ' HD23 ' A' ' 47' ' ' LEU . 19.1 mtt180 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.904 0.383 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.418 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 17.0 t -47.7 151.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.613 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.7 2.4 41.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -115.32 -47.23 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 32' ' ' ARG . 31.8 p -106.48 -18.04 14.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER 65.59 54.92 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.478 ' O ' HG13 ' A' ' 35' ' ' VAL . 28.7 tttm -116.54 140.72 49.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -55.94 107.43 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 33' ' ' LYS . 19.8 m -99.1 -38.09 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 54.6 -110.19 1.53 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.534 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.4 mt -79.58 -28.42 41.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.909 0.385 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 24.1 p -85.62 33.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.57 168.5 42.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.603 ' CZ ' ' HD2' ' A' ' 53' ' ' ARG . 1.1 t80 -141.46 124.72 16.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.872 0.368 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -98.58 114.38 26.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.421 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 23.2 t -85.34 166.75 16.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.517 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . 23.1 mmt180 -69.4 -28.71 66.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.3 p -69.27 -1.17 7.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.29 46.78 8.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.446 ' ND2' ' CE2' ' A' ' 29' ' ' PHE . 36.5 m-20 -137.06 168.34 19.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.876 0.369 . . . . 0.0 110.862 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.667 HD23 ' O ' ' A' ' 27' ' ' ARG . 20.3 tp -112.33 140.59 46.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.685 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 64.7 m-85 -138.92 153.39 48.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.459 ' HB3' HG12 ' A' ' 35' ' ' VAL . 28.2 p -82.59 23.64 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.37 -32.34 2.33 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 49' ' ' CYS . 5.3 mp -72.81 -22.9 60.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.457 ' O ' ' C ' ' A' ' 53' ' ' ARG . 51.2 m80 -115.82 -12.86 11.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.603 ' HD2' ' CZ ' ' A' ' 40' ' ' PHE . 21.7 ptt180 -33.97 -48.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.525 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 62.8 m-85 -45.74 150.07 0.56 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.455 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 16.7 p -74.46 -38.32 62.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -85.5 20.39 2.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.525 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 2.4 mmmp? -114.53 -37.94 4.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.685 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 7.1 p-80 -118.61 21.2 12.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 54.36 50.6 15.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.455 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 38.2 t -53.84 121.32 27.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.635 0.731 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -32.37 18.58 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.656 2.237 . . . . 0.0 112.347 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.517 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -44.32 167.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.949 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 179.932 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.842 0.353 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.424 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 17.5 t -47.29 152.67 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.623 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -101.0 2.91 41.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -117.13 -44.95 2.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.422 ' HB3' ' CE1' ' A' ' 52' ' ' HIS . 30.0 p -110.25 -15.77 13.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 1.6 mpt_? 63.86 54.9 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.488 ' O ' HG13 ' A' ' 35' ' ' VAL . 30.7 tttp -113.26 141.59 46.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -56.38 108.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.583 HG21 HD11 ' A' ' 47' ' ' LEU . 3.6 m -101.48 -26.7 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 43.74 -92.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 35' ' ' VAL . 7.3 mp -98.06 -27.95 13.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.917 0.389 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 35' ' ' VAL . 58.1 p -82.31 36.53 0.47 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.1 164.04 40.16 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.597 ' CZ ' ' HD2' ' A' ' 53' ' ' ARG . 1.2 t80 -139.77 116.34 10.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -91.01 113.62 25.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.405 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 23.9 t -85.52 166.65 16.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -66.39 -33.28 75.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 31.5 p -64.38 -5.68 5.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.93 44.72 7.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.463 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -132.62 169.64 16.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 0.0 110.828 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.583 HD11 HG21 ' A' ' 35' ' ' VAL . 19.5 tp -113.44 135.48 53.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.721 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 71.9 m-85 -134.14 152.42 51.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.509 ' HB3' HG12 ' A' ' 35' ' ' VAL . 30.5 p -83.17 22.72 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.38 -28.62 2.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.7 mt -73.25 -25.27 60.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.422 ' CE1' ' HB3' ' A' ' 31' ' ' CYS . 64.6 m80 -118.68 -4.77 10.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.597 ' HD2' ' CZ ' ' A' ' 40' ' ' PHE . 27.7 ptt85 -37.72 -47.92 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.481 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 53.4 m-85 -43.29 160.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.409 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 4.6 p -83.73 -34.41 24.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.847 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -90.01 18.69 5.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.481 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 47.1 mmtt -110.54 -39.62 4.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.721 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.7 p-80 -116.2 18.63 15.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 56.64 50.67 12.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.409 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 31.9 t -52.95 119.08 15.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.614 0.721 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' A' ' 62' ' ' TYR . 54.3 Cg_endo -69.77 -30.81 21.66 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.661 2.241 . . . . 0.0 112.386 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.426 ' O ' ' O ' ' A' ' 61' ' ' PRO . 0.2 OUTLIER -44.76 171.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.462 ' O ' HD23 ' A' ' 47' ' ' LEU . 26.1 mtt180 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.861 0.363 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.7 t -49.55 151.89 1.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.632 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.58 4.09 43.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.623 ' SD ' ' CD2' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -119.73 -40.6 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.468 ' HB3' ' CE1' ' A' ' 52' ' ' HIS . 31.7 p -112.65 -16.89 12.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 64.07 54.49 1.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.486 ' O ' HG13 ' A' ' 35' ' ' VAL . 47.8 tttt -115.5 139.82 49.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -55.11 111.03 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.628 HG21 HD11 ' A' ' 47' ' ' LEU . 3.5 m -104.18 -43.24 8.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.471 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 55.78 -101.44 0.13 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.485 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.1 mt -84.64 -30.67 24.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.906 0.384 . . . . 0.0 110.898 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.1 p -84.08 32.3 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.51 159.06 38.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.605 ' CZ ' ' HD2' ' A' ' 53' ' ' ARG . 1.1 t80 -132.6 110.7 10.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.868 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 41' ' ' ASP . 3.3 p30 -89.22 113.66 24.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.3 t -86.55 166.19 15.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -66.14 -33.33 75.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 28.6 p -61.94 -8.47 5.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.64 42.7 7.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -131.84 169.19 16.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.886 0.374 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.628 HD11 HG21 ' A' ' 35' ' ' VAL . 18.4 tp -114.82 135.25 54.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.659 ' CE2' ' CG ' ' A' ' 58' ' ' HIS . 67.1 m-85 -133.54 151.61 51.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 1.019 ' SG ' HD12 ' A' ' 51' ' ' LEU . 31.4 p -82.99 21.44 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.05 -28.05 2.97 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 1.019 HD12 ' SG ' ' A' ' 49' ' ' CYS . 5.9 mt -74.17 -25.09 59.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.811 0.339 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.623 ' CD2' ' SD ' ' A' ' 30' ' ' MET . 67.7 m80 -119.23 -3.94 10.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.605 ' HD2' ' CZ ' ' A' ' 40' ' ' PHE . 22.6 ptt180 -38.33 -49.0 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.494 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 33.6 m-85 -39.96 152.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.422 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 2.8 p -77.68 -29.5 51.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -94.7 20.0 9.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.494 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 39.2 mmtm -116.17 -30.13 6.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.659 ' CG ' ' CE2' ' A' ' 48' ' ' PHE . 4.8 p-80 -122.67 18.56 10.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 54.57 53.22 11.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 28.4 t -52.48 116.64 9.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.722 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.423 ' O ' ' O ' ' A' ' 62' ' ' TYR . 54.3 Cg_endo -69.68 -26.95 27.46 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.423 ' O ' ' O ' ' A' ' 61' ' ' PRO . 0.2 OUTLIER -47.48 178.18 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.624 ' O ' HD23 ' A' ' 47' ' ' LEU . 12.3 mtt85 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.804 0.335 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.409 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 18.2 t -45.95 151.86 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.597 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.74 1.53 40.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.7 tpp -114.75 -46.97 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.6 p -106.85 -18.3 13.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? 64.86 54.91 1.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.52 ' O ' HG13 ' A' ' 35' ' ' VAL . 30.8 tttm -117.32 139.37 50.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -52.54 109.46 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.563 HG21 HD11 ' A' ' 47' ' ' LEU . 5.9 m -101.64 -41.35 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.452 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 63.86 -106.96 1.55 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -87.13 -33.9 19.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.938 0.399 . . . . 0.0 110.966 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.9 p -68.39 0.11 4.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -52.63 163.32 1.98 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.46 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.595 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.4 t80 -138.11 117.97 13.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 110.869 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -92.23 111.02 22.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.0 t -84.38 166.95 16.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -68.42 -33.44 74.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.464 ' HA ' ' CD1' ' A' ' 62' ' ' TYR . 31.5 p -62.57 -7.83 5.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.87 43.04 6.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 -133.16 170.66 15.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.624 HD23 ' O ' ' A' ' 27' ' ' ARG . 11.6 tp -117.24 135.48 53.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.718 ' CE2' ' CG ' ' A' ' 58' ' ' HIS . 48.8 m-85 -134.01 155.12 50.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.521 ' O ' HD12 ' A' ' 51' ' ' LEU . 26.6 p -81.85 22.95 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.82 -33.47 2.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 49' ' ' CYS . 5.8 mp -74.03 -19.45 60.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 53' ' ' ARG . 47.3 m80 -116.49 -12.28 11.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.595 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 21.3 ptt85 -35.58 -52.97 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.496 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 35.0 m-85 -38.83 156.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.413 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 18.2 p -79.85 -34.26 39.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -90.08 18.69 5.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.496 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 36.1 mmtm -112.22 -39.4 4.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.718 ' CG ' ' CE2' ' A' ' 48' ' ' PHE . 5.8 p-80 -116.87 18.2 14.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.838 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 55.65 50.97 13.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.416 ' HB2' ' NE2' ' A' ' 58' ' ' HIS . 32.6 t -51.37 119.24 12.37 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.43 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.9 Cg_endo -69.72 -27.16 27.02 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.654 2.236 . . . . 0.0 112.37 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.464 ' CD1' ' HA ' ' A' ' 44' ' ' CYS . 0.3 OUTLIER -47.61 178.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.446 ' O ' HD23 ' A' ' 47' ' ' LEU . 18.7 mtt180 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.799 0.333 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.42 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 18.5 t -51.5 150.7 3.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.63 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -99.12 3.67 46.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.413 ' SD ' ' O ' ' A' ' 30' ' ' MET . 1.4 tpp -118.66 -44.53 2.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.0 p -108.18 -17.42 14.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 0.9 OUTLIER 65.48 54.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.415 ' O ' HG13 ' A' ' 35' ' ' VAL . 20.0 tttp -112.83 147.79 36.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.67 107.63 1.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.559 HG21 HD11 ' A' ' 47' ' ' LEU . 12.2 m -101.68 -39.52 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.41 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 50.15 -96.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.3 mt -88.28 -29.35 20.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.899 0.38 . . . . 0.0 110.925 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.7 p -85.07 33.47 0.54 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.62 157.13 35.76 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.533 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.589 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.1 t80 -131.65 119.77 21.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.868 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.57 111.56 23.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.407 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 23.6 t -83.66 166.99 17.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.464 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . 7.3 mmm180 -67.2 -31.55 72.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 32.1 p -66.18 -4.63 7.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.84 45.36 7.77 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.496 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -134.41 169.92 16.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.559 HD11 HG21 ' A' ' 35' ' ' VAL . 20.1 tp -113.36 137.79 51.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.698 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 70.4 m-85 -135.87 153.94 51.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.978 ' SG ' HD12 ' A' ' 51' ' ' LEU . 30.1 p -83.5 24.59 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.18 -29.58 2.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.506 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.978 HD12 ' SG ' ' A' ' 49' ' ' CYS . 6.1 mt -72.91 -25.97 61.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.857 0.36 . . . . 0.0 110.94 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -117.46 -3.99 11.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.589 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 33.6 ptt180 -38.3 -41.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.483 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 55.5 m-85 -48.98 -179.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.412 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 60.7 p -97.14 -55.56 2.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.821 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -0.55 4.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 29.8 mmtm -87.71 -45.98 9.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.698 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.2 p-80 -113.71 19.0 17.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 54.96 49.39 17.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.412 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 34.1 t -48.85 119.77 8.62 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.584 0.707 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.414 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.4 Cg_endo -69.82 -27.8 25.76 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.331 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.464 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -46.18 174.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.963 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.5 p -161.19 152.71 19.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 110.859 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 p -81.21 -37.44 28.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.34 88.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -122.78 109.45 14.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 0.0 110.852 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -148.48 164.21 34.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.853 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.545 ' HA2' ' C ' ' A' ' 8' ' ' PRO . . . -50.42 147.19 8.09 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.503 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.545 ' C ' ' HA2' ' A' ' 7' ' ' GLY . 54.0 Cg_endo -69.7 149.4 88.38 Favored 'Cis proline' 0 C--O 1.231 0.157 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.38 -0.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.2 p -80.53 -33.68 36.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.834 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.2 t -87.33 129.87 34.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.4 m -142.25 127.36 18.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -134.36 41.63 2.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.3 p -146.99 109.72 4.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.847 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -174.4 124.97 0.31 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -171.11 146.31 2.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -58.88 135.28 57.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.67 150.03 66.75 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.593 0.711 . . . . 0.0 111.078 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 19' ' ' GLU . 54.0 Cg_endo -69.78 135.45 30.44 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.669 2.246 . . . . 0.0 112.367 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 18' ' ' PRO . 59.9 mm-40 -37.69 156.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.823 HD22 ' C ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -48.25 152.77 1.42 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.559 0.695 . . . . 0.0 110.937 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.432 ' N ' HD22 ' A' ' 20' ' ' LEU . 53.9 Cg_endo -69.78 105.95 1.58 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.675 2.25 . . . . 0.0 112.32 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -50.15 155.94 1.52 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.574 0.702 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -15.88 37.42 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.9 -50.78 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.0 tptm 46.05 40.47 7.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 39.55 44.99 1.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -134.25 145.68 49.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 16.3 t -47.88 151.2 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.62 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -101.3 2.01 39.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.468 ' CE ' ' HA ' ' A' ' 58' ' ' HIS . 1.6 tpp -115.2 -42.91 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.448 ' C ' ' HD3' ' A' ' 32' ' ' ARG . 32.1 p -110.45 -16.57 13.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.448 ' HD3' ' C ' ' A' ' 31' ' ' CYS . 0.8 OUTLIER 64.2 54.66 1.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.554 ' O ' HG13 ' A' ' 35' ' ' VAL . 6.6 ttmm -117.81 148.07 42.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.463 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -59.58 111.72 1.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 33' ' ' LYS . 4.5 m -111.23 -31.69 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.178 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.84 -105.66 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 mt -76.15 -31.87 58.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.875 0.369 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 35' ' ' VAL . 80.7 p -82.68 33.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.4 165.33 37.17 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.455 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.59 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.5 t80 -139.06 118.95 13.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -91.47 113.4 25.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.825 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.415 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 24.2 t -85.36 166.37 16.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.47 ' HG3' ' CD2' ' A' ' 64' ' ' TYR . 20.3 mmt180 -66.89 -31.34 71.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 31.1 p -67.25 -2.96 6.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.88 45.11 8.6 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.401 ' ND2' ' CE2' ' A' ' 29' ' ' PHE . 40.7 m-20 -133.5 170.64 15.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.855 0.359 . . . . 0.0 110.867 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.48 HD12 ' H ' ' A' ' 40' ' ' PHE . 26.5 tp -114.8 137.53 51.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.71 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 60.5 m-85 -137.04 153.53 50.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.545 ' HB3' HG12 ' A' ' 35' ' ' VAL . 28.0 p -81.12 20.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.48 -31.26 2.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.7 mp -74.04 -20.83 60.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -118.14 -8.52 10.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.59 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 22.1 ptt85 -37.66 -50.8 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.489 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 47.8 m-85 -39.88 158.15 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.402 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 3.3 p -83.16 -29.18 28.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.56 19.04 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.821 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.489 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 31.5 mmtm -110.77 -42.14 4.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.71 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 7.0 p-80 -114.25 18.98 16.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 56.31 50.91 12.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.402 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 31.7 t -52.59 120.84 19.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.629 0.728 . . . . 0.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.424 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.4 Cg_endo -69.74 -31.68 20.12 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.695 2.264 . . . . 0.0 112.338 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -45.15 172.5 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -133.86 -3.57 2.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.47 ' CD2' ' HG3' ' A' ' 43' ' ' ARG . 0.6 OUTLIER -33.2 -34.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 -179.829 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 63' ' ' ASP . 9.7 ptmt -58.94 -50.12 75.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . -102.48 35.9 2.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -113.51 -61.09 1.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -101.68 140.62 35.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.6 m 42.54 37.16 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -143.05 76.94 0.29 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.461 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -4.13 13.42 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.641 2.227 . . . . 0.0 112.362 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 77.3 p -42.89 105.85 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.2 m -44.17 127.11 5.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.458 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.3 p -174.03 144.79 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.865 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 t -174.51 170.25 3.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.56 69.73 0.27 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -137.86 133.1 33.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.866 0.365 . . . . 0.0 110.865 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 m -164.84 124.53 1.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.799 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.29 -160.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.459 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 178.82 24.23 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.331 0.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.5 p -138.64 120.28 15.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.2 t -167.44 108.31 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.9 m -126.65 69.59 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -137.58 116.6 12.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.2 t -161.29 111.15 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -171.01 123.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -119.56 94.03 4.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -92.52 144.72 25.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -168.33 152.88 6.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.701 . . . . 0.0 111.089 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 116.08 4.4 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 2.243 . . . . 0.0 112.303 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -146.91 151.5 37.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.9 mt -120.24 155.4 56.0 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.561 0.696 . . . . 0.0 110.955 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 107.16 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.668 2.246 . . . . 0.0 112.336 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -133.58 116.66 13.97 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.538 0.685 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -33.17 16.92 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.7 2.266 . . . . 0.0 112.298 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.432 ' NZ ' ' HB2' ' A' ' 29' ' ' PHE . 27.1 mmmt -149.13 154.29 38.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.44 ' C ' ' CG ' ' A' ' 26' ' ' ASN . 3.0 mmmm -106.18 38.95 1.9 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.44 ' CG ' ' C ' ' A' ' 25' ' ' LYS . 1.1 p-10 47.7 42.74 15.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.503 ' O ' HD23 ' A' ' 47' ' ' LEU . 20.0 mtt180 -133.66 141.06 47.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.409 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 17.8 t -45.45 151.27 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.63 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -101.67 2.17 38.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.413 ' SD ' ' O ' ' A' ' 30' ' ' MET . 1.2 tpp -114.02 -45.88 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.8 p -109.3 -18.77 13.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? 65.73 55.02 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.573 ' O ' HG13 ' A' ' 35' ' ' VAL . 40.4 tttt -118.49 133.3 55.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -45.21 109.62 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.573 HG13 ' O ' ' A' ' 33' ' ' LYS . 8.3 m -103.48 -36.2 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 50.98 -112.86 1.85 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.6 mp -75.77 -28.95 58.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.859 0.361 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.8 p -83.35 29.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.08 163.67 41.72 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.482 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.597 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.4 t80 -137.47 117.88 13.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.862 0.363 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -92.84 111.64 23.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.2 t -84.3 166.25 17.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.585 ' HG3' ' CD2' ' A' ' 64' ' ' TYR . 1.4 mmp_? -68.35 -31.67 71.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.3 p -63.98 -6.49 6.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.75 43.23 7.35 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -134.58 170.31 15.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 27' ' ' ARG . 20.1 tp -115.04 140.23 49.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.7 ' CE2' ' CG ' ' A' ' 58' ' ' HIS . 60.1 m-85 -138.58 153.25 48.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.57 ' HB3' HG12 ' A' ' 35' ' ' VAL . 26.4 p -81.37 22.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.65 -30.98 2.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 49' ' ' CYS . 6.5 mp -75.72 -21.0 57.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.812 0.339 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -116.07 -10.54 11.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.597 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 23.9 ptt180 -37.27 -50.45 1.0 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.502 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 53.6 m-85 -39.81 158.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.917 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.41 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 5.2 p -81.13 -32.24 33.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.882 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -92.88 21.46 5.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.502 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 31.2 mmtm -114.99 -36.97 4.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.7 ' CG ' ' CE2' ' A' ' 48' ' ' PHE . 5.6 p-80 -119.66 18.77 12.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 55.28 50.9 14.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.41 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 29.2 t -50.87 118.96 10.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.676 0.75 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.423 ' O ' ' O ' ' A' ' 62' ' ' TYR . 54.0 Cg_endo -69.7 -30.12 23.06 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.718 2.279 . . . . 0.0 112.347 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.426 ' HD2' ' CD1' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -46.47 175.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.955 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -129.29 -12.07 4.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.585 ' CD2' ' HG3' ' A' ' 43' ' ' ARG . 0.3 OUTLIER -36.28 -29.67 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.838 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' A' ' 63' ' ' ASP . 12.2 ptpt -47.9 -47.53 32.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.95 -46.9 6.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -43.47 -43.33 5.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.72 166.88 22.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 72.5 m -78.9 109.34 13.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 178.55 -140.99 4.78 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 139.12 39.47 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.709 2.273 . . . . 0.0 112.364 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 92.1 p -102.82 44.05 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.823 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.7 m -149.35 124.64 10.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.509 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 t -172.19 133.64 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.841 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t -167.3 171.6 10.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.71 145.2 4.13 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.462 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 p -171.44 105.61 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 0.0 110.818 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 p -160.13 134.35 7.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.843 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.85 -172.74 0.25 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 150.85 91.03 Favored 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.327 0.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.0 p -138.84 107.27 5.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.3 t -172.64 105.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.3 p -154.75 110.0 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.84 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -173.73 122.04 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 m -170.94 106.04 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -165.54 131.37 2.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -141.79 136.29 30.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.18 152.27 38.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -135.15 135.93 23.75 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.586 0.708 . . . . 0.0 111.076 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 111.24 2.76 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.725 2.283 . . . . 0.0 112.302 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -117.91 147.63 42.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.86 156.13 90.06 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.66 0.743 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 168.65 20.95 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.694 2.262 . . . . 0.0 112.36 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.08 152.96 37.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.59 0.709 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -9.84 27.11 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.392 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -132.7 68.62 1.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -54.26 -67.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -132.64 45.31 2.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -132.47 139.27 47.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.417 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 17.3 t -47.5 152.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.619 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -101.61 2.42 38.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.412 ' SD ' ' O ' ' A' ' 30' ' ' MET . 1.5 tpp -115.05 -44.49 3.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.5 p -109.7 -19.05 13.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.0 mmt-85 67.65 54.39 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.507 ' O ' HG13 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -115.99 148.1 40.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.467 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 0.6 OUTLIER -60.55 110.89 1.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.856 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.514 HG12 ' HB3' ' A' ' 49' ' ' CYS . 6.9 m -109.07 -32.9 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 46.48 -112.06 0.8 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.453 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.9 mt -74.45 -27.77 60.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.914 0.387 . . . . 0.0 110.954 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.6 p -84.94 33.13 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.57 166.87 40.14 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.596 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.4 t80 -139.46 116.25 10.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.827 0.346 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.85 113.17 24.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.408 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 22.7 t -84.82 166.14 17.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.543 ' HG3' ' CD2' ' A' ' 64' ' ' TYR . 30.1 mmt180 -66.46 -32.15 73.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 32.0 p -65.78 -4.81 7.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.64 44.11 8.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.415 ' ND2' ' CE2' ' A' ' 29' ' ' PHE . 46.8 m-20 -132.57 171.36 13.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.372 . . . . 0.0 110.862 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.486 HD12 ' H ' ' A' ' 40' ' ' PHE . 24.7 tp -116.39 134.25 55.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.689 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 55.1 m-85 -133.62 154.32 50.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.514 ' HB3' HG12 ' A' ' 35' ' ' VAL . 27.4 p -81.58 22.81 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.5 -33.2 2.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.6 mp -73.24 -19.94 60.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.348 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 53' ' ' ARG . 46.1 m80 -117.55 -10.71 10.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.596 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 20.8 ptt85 -36.65 -50.58 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.481 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 40.0 m-85 -41.63 155.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.415 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 16.2 p -80.69 -29.91 36.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -93.07 19.21 8.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.481 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 56.1 mmtt -112.5 -39.67 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.689 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.3 p-80 -116.66 18.15 15.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.803 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 56.22 51.7 11.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 29.8 t -53.23 120.76 21.8 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.605 0.717 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.7 Cg_endo -69.77 -30.84 21.59 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.712 2.275 . . . . 0.0 112.33 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.422 ' O ' ' O ' ' A' ' 61' ' ' PRO . 0.1 OUTLIER -45.3 172.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -133.44 -4.01 2.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.543 ' CD2' ' HG3' ' A' ' 43' ' ' ARG . 0.6 OUTLIER -34.71 -38.6 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.857 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -42.78 -51.63 5.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.884 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.35 -38.87 59.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.091 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -63.33 116.66 5.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -148.63 133.07 17.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 78.5 p -120.7 132.61 55.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 132.46 -96.26 0.31 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.464 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 150.32 68.02 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.671 2.247 . . . . 0.0 112.344 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.4 t -140.69 156.86 46.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.828 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.6 t -146.8 145.56 29.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.44 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.8 m -129.55 123.97 32.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.358 . . . . 0.0 110.835 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.1 p -157.09 124.95 5.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.29 171.87 28.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 m -119.52 174.12 6.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.872 0.367 . . . . 0.0 110.853 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 p -156.06 148.66 23.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.514 ' HA3' ' C ' ' A' ' 8' ' ' PRO . . . -61.06 -105.6 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.469 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.514 ' C ' ' HA3' ' A' ' 7' ' ' GLY . 53.1 Cg_endo -69.83 130.16 16.18 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.64 -1.817 . . . . 0.0 112.331 0.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.44 ' N ' ' HA3' ' A' ' 7' ' ' GLY . 46.8 p -112.1 85.16 2.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.6 t -167.24 112.58 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m -98.12 94.84 7.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -130.87 91.46 3.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 52.9 m -98.07 79.97 2.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -108.94 111.3 22.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.4 mp0 -150.64 125.52 9.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.39 177.79 3.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.37 154.99 70.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.589 0.709 . . . . 0.0 111.089 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 126.56 13.41 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.643 2.228 . . . . 0.0 112.329 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -124.12 146.72 48.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.3 mt -115.19 151.51 45.82 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.72 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 163.06 39.7 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.339 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.62 136.21 24.32 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.577 0.703 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -42.77 3.13 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.65 2.233 . . . . 0.0 112.341 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -122.3 -50.15 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 26' ' ' ASN . 31.4 tttp 66.99 46.57 1.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 25' ' ' LYS . 1.6 p-10 36.53 44.05 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.448 ' O ' HD23 ' A' ' 47' ' ' LEU . 16.4 mtt180 -132.75 142.15 48.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.423 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 17.5 t -46.17 150.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.623 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.34 3.15 43.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.1 tpp -115.21 -46.74 2.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.0 p -107.1 -17.7 14.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 3.9 mpt_? 66.52 53.89 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -113.83 151.38 32.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.461 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 11.4 tppt? -65.81 107.07 1.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.489 HG12 ' HB3' ' A' ' 49' ' ' CYS . 9.3 m -103.06 -35.52 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.123 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.6 -105.2 0.1 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -79.16 -34.0 43.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.4 p -81.94 36.62 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -88.12 165.27 34.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.599 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.2 t80 -137.51 121.42 17.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.916 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -95.04 113.56 25.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.409 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 23.5 t -84.99 166.33 16.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.577 ' HG3' ' CD2' ' A' ' 64' ' ' TYR . 17.9 mmt180 -67.82 -33.36 74.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.8 p -62.83 -7.7 5.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.64 43.08 7.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.45 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -133.11 172.46 12.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.46 HD11 HG21 ' A' ' 35' ' ' VAL . 23.0 tp -115.33 140.0 49.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.689 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 61.4 m-85 -138.89 153.75 48.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.496 ' O ' HD12 ' A' ' 51' ' ' LEU . 27.5 p -82.15 22.96 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.26 -33.21 2.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 49' ' ' CYS . 6.1 mp -73.27 -18.86 61.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.33 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -118.74 -10.12 10.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.816 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.599 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 23.3 ptt180 -37.1 -51.41 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.488 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 42.2 m-85 -39.96 154.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.415 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 3.7 p -81.45 -27.28 34.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.888 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -95.57 18.07 13.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.488 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 48.2 mmtt -110.62 -43.53 3.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.689 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 7.2 p-80 -111.67 18.84 18.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 56.08 51.3 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 32.2 t -53.22 120.5 20.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.598 0.713 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.419 ' O ' ' O ' ' A' ' 62' ' ' TYR . 54.2 Cg_endo -69.74 -30.65 22.02 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.384 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.461 ' CD2' ' HB3' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -44.96 171.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.6 0.14 2.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.577 ' CD2' ' HG3' ' A' ' 43' ' ' ARG . 0.5 OUTLIER -39.29 -38.06 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.866 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 66' ' ' ALA . 7.1 pttm -52.11 -44.36 64.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.409 ' N ' ' HG3' ' A' ' 65' ' ' LYS . . . -108.54 37.07 2.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -106.61 -46.75 3.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.46 161.51 17.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.3 t -78.66 117.45 19.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -153.37 142.5 9.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 104.27 1.3 Allowed 'Trans proline' 0 C--O 1.231 0.125 0 C-N-CA 122.716 2.277 . . . . 0.0 112.31 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.9 m -134.18 121.92 22.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 97.2 p -113.04 124.85 53.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.152 -0.804 . . . . 0.0 112.495 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 t -102.77 159.15 15.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.904 0.383 . . . . 0.0 110.819 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.7 p -143.38 131.36 21.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.46 164.36 18.99 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.48 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.4 t -173.2 141.08 0.91 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.892 0.377 . . . . 0.0 110.826 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -169.31 143.79 2.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.896 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.16 -162.0 0.64 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 165.95 75.48 Favored 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.289 0.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.2 p -147.52 119.91 8.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.8 m -145.24 141.84 28.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.849 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.6 m -78.58 168.45 19.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -109.67 -46.49 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.1 t -164.88 125.14 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -131.35 40.0 3.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -118.05 129.38 55.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -150.32 170.89 17.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -106.26 151.9 40.34 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.576 0.703 . . . . 0.0 111.07 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 117.57 5.16 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.646 2.231 . . . . 0.0 112.343 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -46.83 121.6 3.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -53.47 157.16 3.72 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.594 0.711 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.78 144.12 52.91 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.366 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -135.66 123.18 14.93 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.589 0.709 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -39.44 6.55 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -132.93 99.33 4.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.441 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 12.2 ptpt -77.95 46.73 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 1.4 p-10 47.66 44.94 17.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.2 mtt-85 -131.48 145.63 51.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 19.6 t -48.38 149.94 1.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.637 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -98.75 4.56 47.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.1 tpp -117.82 -47.63 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.7 p -106.65 -17.98 14.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 14.2 mmt180 67.0 54.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.465 ' O ' HG13 ' A' ' 35' ' ' VAL . 59.6 tttt -113.76 144.3 43.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -60.07 108.2 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 33' ' ' LYS . 10.6 m -102.12 -39.81 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.424 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 52.41 -100.77 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.529 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.414 ' N ' HD22 ' A' ' 37' ' ' LEU . 2.9 mm? -85.07 -31.87 23.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.875 0.369 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.0 p -83.32 36.05 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.17 157.44 30.6 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.6 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 0.8 OUTLIER -129.72 119.82 24.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.903 0.383 . . . . 0.0 110.886 -179.897 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -93.3 111.09 22.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.453 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 21.1 t -82.03 167.73 18.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -70.32 -29.28 65.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 31.3 p -68.44 -0.77 5.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.83 46.08 9.94 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -135.13 170.89 15.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 27.7 tp -114.63 137.33 52.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.691 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 67.0 m-85 -135.65 154.41 51.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 1.03 ' SG ' HD12 ' A' ' 51' ' ' LEU . 30.2 p -84.09 23.16 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.63 -29.19 2.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 1.03 HD12 ' SG ' ' A' ' 49' ' ' CYS . 4.9 mt -73.32 -24.64 60.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 53' ' ' ARG . 65.8 m80 -117.74 -5.68 11.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.6 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 28.7 ptt85 -37.46 -49.03 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.491 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 43.7 m-85 -44.2 152.7 0.17 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.434 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 7.1 p -78.6 -31.13 46.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -91.15 19.41 5.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.491 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 54.5 mmtt -112.8 -41.57 3.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.691 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 7.0 p-80 -113.15 18.92 17.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 56.46 50.37 13.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 32.7 t -53.71 120.89 24.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.655 0.74 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -32.43 18.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.724 2.283 . . . . 0.0 112.336 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.21 168.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 65' ' ' LYS . 2.3 m-20 -135.0 5.22 3.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.463 ' C ' ' O ' ' A' ' 63' ' ' ASP . 2.4 p90 -33.45 -34.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 63' ' ' ASP . 11.5 mtmt -43.8 -62.67 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.933 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.22 37.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 64' ' ' TYR . 15.3 tm-20 -94.46 -47.6 6.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -132.56 96.01 3.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.7 p -43.49 116.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -168.71 -157.84 11.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.548 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 166.82 26.37 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.295 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 55.7 p -116.72 150.39 38.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.0 m -148.74 177.02 9.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.48 -179.928 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 p -171.02 154.12 4.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -172.82 176.01 3.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.86 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.52 116.98 1.01 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -167.76 115.46 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.909 0.385 . . . . 0.0 110.881 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -172.1 170.29 5.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.435 ' HA3' ' HA ' ' A' ' 8' ' ' PRO . . . -66.71 -129.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.518 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.435 ' HA ' ' HA3' ' A' ' 7' ' ' GLY . 53.6 Cg_endo -69.72 147.67 85.04 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.705 -1.79 . . . . 0.0 112.318 0.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.8 m -160.7 125.26 3.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.0 m -145.86 115.1 7.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.4 p -171.65 118.18 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -120.94 -43.97 2.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 m -161.9 145.64 12.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -170.92 107.87 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -169.27 154.78 6.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -171.37 138.01 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -167.27 143.4 3.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.536 0.684 . . . . 0.0 111.098 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 125.22 11.91 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.722 2.281 . . . . 0.0 112.329 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -147.74 117.83 7.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 mp -106.55 155.66 38.44 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.619 0.724 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 136.39 32.75 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.709 2.273 . . . . 0.0 112.334 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.415 ' N ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -136.76 148.5 63.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 0.0 110.879 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -41.78 3.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -152.72 157.7 41.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -85.34 -75.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -126.47 37.86 4.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.503 ' O ' HD23 ' A' ' 47' ' ' LEU . 20.3 mtt180 -136.63 147.23 46.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.7 t -50.56 152.48 1.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.598 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -101.34 1.18 38.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.401 ' SD ' ' O ' ' A' ' 30' ' ' MET . 1.3 tpp -114.88 -46.62 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.6 p -106.47 -17.94 14.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? 64.14 54.6 1.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.526 ' O ' HG13 ' A' ' 35' ' ' VAL . 7.8 ttpp -117.59 146.45 43.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.485 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -53.86 118.76 4.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.824 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 33' ' ' LYS . 3.0 m -116.16 -41.55 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.438 ' N ' ' CG2' ' A' ' 35' ' ' VAL . . . 63.14 -113.0 5.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.544 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.1 mp -84.48 -32.44 23.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.939 0.399 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.8 p -67.76 -3.25 8.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.427 ' HA3' HD11 ' A' ' 47' ' ' LEU . . . -51.59 166.82 0.77 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.594 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.4 t80 -134.99 117.78 16.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.358 . . . . 0.0 110.886 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.73 108.14 19.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.2 t -82.13 166.4 19.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.598 ' HG3' ' CD2' ' A' ' 64' ' ' TYR . 18.8 mmt180 -67.99 -33.19 74.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.424 ' HA ' ' CD1' ' A' ' 62' ' ' TYR . 31.4 p -63.73 -6.84 6.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.93 43.93 6.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 -133.03 167.11 20.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 27' ' ' ARG . 19.8 tp -115.29 131.7 56.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.727 ' CE2' ' CG ' ' A' ' 58' ' ' HIS . 45.1 m-85 -130.98 155.32 47.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.444 ' O ' HD12 ' A' ' 51' ' ' LEU . 26.7 p -80.79 19.76 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.94 -30.48 3.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.456 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 49' ' ' CYS . 5.2 mp -75.9 -21.11 57.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 53' ' ' ARG . 48.2 m80 -115.09 -11.37 12.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.594 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 24.0 ptt180 -36.38 -49.38 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.522 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 46.5 m-85 -41.66 156.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.414 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 8.2 p -78.24 -38.22 43.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.85 19.99 2.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.522 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 19.5 mmtp -113.25 -42.21 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.727 ' CG ' ' CE2' ' A' ' 48' ' ' PHE . 5.8 p-80 -115.31 18.63 16.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.809 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 55.5 51.5 12.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.414 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 32.2 t -52.41 118.55 12.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.607 0.718 . . . . 0.0 110.852 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.1 Cg_endo -69.82 -28.89 24.41 Favored 'Trans proline' 0 C--O 1.231 0.131 0 C-N-CA 122.69 2.26 . . . . 0.0 112.311 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.424 ' CD1' ' HA ' ' A' ' 44' ' ' CYS . 0.1 OUTLIER -46.83 175.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.5 OUTLIER -129.88 -11.69 4.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.598 ' CD2' ' HG3' ' A' ' 43' ' ' ARG . 0.3 OUTLIER -37.38 -28.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.991 -179.844 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 63' ' ' ASP . 28.6 pttt -51.82 -48.19 64.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.894 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.426 ' N ' ' HG3' ' A' ' 65' ' ' LYS . . . -120.14 36.39 4.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -83.38 -43.33 16.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -111.01 -42.88 3.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.09 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.4 p -170.21 158.55 6.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -157.81 145.72 12.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 105.77 1.53 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.73 2.287 . . . . 0.0 112.349 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.8 t -66.98 147.78 52.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.5 p -128.82 130.2 46.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.47 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.6 p -172.3 136.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.377 . . . . 0.0 110.826 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.8 m -82.38 -56.69 3.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.33 150.2 5.51 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -83.14 172.88 12.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.881 0.372 . . . . 0.0 110.844 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 t -172.61 120.22 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.14 -162.47 21.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 145.49 79.53 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.309 0.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.0 p -174.01 150.49 1.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.4 m -132.74 152.35 51.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.0 m -98.25 156.74 16.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -112.52 146.86 37.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 64.2 m -132.27 116.52 17.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -137.67 108.23 6.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -129.78 90.77 3.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -87.85 124.14 33.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.91 123.49 15.43 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.714 . . . . 0.0 111.097 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 108.18 2.03 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.638 2.225 . . . . 0.0 112.341 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -110.69 140.26 45.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 51.3 mt -90.3 146.99 35.78 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.567 0.699 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 125.43 12.15 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.718 2.279 . . . . 0.0 112.322 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -43.2 150.11 0.5 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.621 0.724 . . . . 0.0 110.881 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 -47.46 0.93 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.741 2.294 . . . . 0.0 112.36 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.84 85.22 2.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' ASN . 0.1 OUTLIER -69.02 72.18 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.852 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' LYS . 0.6 OUTLIER 35.9 42.83 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.3 mtt180 -133.87 141.73 47.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 17.7 t -45.41 148.88 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.63 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -99.53 2.47 44.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -114.02 -45.89 3.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.1 p -108.24 -20.46 13.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.426 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 12.2 mmm180 68.4 53.34 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.56 ' O ' HG13 ' A' ' 35' ' ' VAL . 7.1 ttpt -118.44 137.79 52.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.91 118.49 2.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.56 HG13 ' O ' ' A' ' 33' ' ' LYS . 5.8 m -114.06 -38.1 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.36 -108.45 0.31 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.548 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.52 -36.21 65.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.908 0.385 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.8 p -81.7 36.61 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -91.06 157.48 25.08 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.616 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.2 t80 -129.67 126.98 39.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.359 . . . . 0.0 110.884 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -100.0 112.14 24.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.818 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.42 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 22.8 t -82.98 167.4 17.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.558 ' HG3' ' CD2' ' A' ' 64' ' ' TYR . 60.3 mmt-85 -70.53 -33.16 70.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.804 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.0 p -63.41 -6.79 5.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.25 43.97 6.82 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -133.55 169.76 16.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.449 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 52.7 tp -112.46 141.11 46.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.691 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 63.8 m-85 -141.13 152.45 44.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.466 ' HB3' HG12 ' A' ' 35' ' ' VAL . 27.4 p -82.08 23.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.0 -32.74 2.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.467 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 49' ' ' CYS . 6.9 mp -73.23 -21.07 60.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.85 0.357 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -117.69 -8.81 10.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.616 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 22.6 ptt180 -37.86 -50.05 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.482 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 51.4 m-85 -40.82 155.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.423 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 6.5 p -80.59 -30.39 36.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.836 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -93.45 20.0 7.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.482 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 33.0 mmtm -113.08 -38.5 4.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.691 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.9 p-80 -117.35 18.69 14.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 55.99 52.13 11.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.423 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 31.9 t -53.83 120.51 23.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.649 0.737 . . . . 0.0 110.832 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' A' ' 62' ' ' TYR . 54.2 Cg_endo -69.76 -28.36 25.33 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.636 2.224 . . . . 0.0 112.392 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.498 ' CD2' ' HB3' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -46.03 174.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -134.94 -0.5 2.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.558 ' CD2' ' HG3' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -43.01 -34.75 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.884 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.546 ' HD2' ' HB2' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -64.54 -37.63 88.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.546 ' HB2' ' HD2' ' A' ' 65' ' ' LYS . . . -110.7 30.72 6.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -115.87 100.55 8.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.19 118.25 3.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.1 m -134.13 112.92 11.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 58.11 169.34 0.18 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -43.41 2.65 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.348 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 64.9 m -44.38 142.67 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.7 t -61.52 99.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.152 -0.804 . . . . 0.0 112.456 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m -160.44 115.22 2.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.879 0.371 . . . . 0.0 110.871 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -166.01 161.62 17.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.75 52.97 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.9 p -144.0 118.5 9.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.873 0.368 . . . . 0.0 110.82 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 p -174.32 112.62 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.889 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.79 176.56 22.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.446 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 135.8 35.66 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.7 -1.791 . . . . 0.0 112.349 0.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.2 m -93.14 103.83 16.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.1 p -123.13 91.81 3.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.1 p -126.72 82.12 2.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -171.64 127.28 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.921 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.9 p -168.57 127.98 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -115.69 83.4 1.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -152.91 105.58 2.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.0 142.47 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -168.86 133.57 1.34 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.623 0.725 . . . . 0.0 111.094 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 146.8 61.31 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.646 2.231 . . . . 0.0 112.371 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.424 ' C ' ' CD ' ' A' ' 19' ' ' GLU . 2.2 pp20? -114.07 146.78 39.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 68.6 mt -101.38 149.97 36.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.602 0.715 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 22' ' ' LYS . 53.9 Cg_endo -69.74 151.42 69.16 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 21' ' ' PRO . 10.6 ptpt -35.38 153.24 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.533 0.682 . . . . 0.0 110.94 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 6.95 1.11 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.372 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -114.75 115.88 27.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -76.54 50.65 0.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 38.0 50.3 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.5 mtt-85 -132.96 148.1 52.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 20.2 t -49.21 148.68 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.643 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -97.2 5.21 50.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.6 tpp -119.57 -46.8 2.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.401 ' HB3' ' CE1' ' A' ' 52' ' ' HIS . 31.8 p -106.66 -17.05 14.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 0.6 OUTLIER 65.35 54.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.853 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.472 ' O ' HG13 ' A' ' 35' ' ' VAL . 36.0 tttp -112.9 143.14 44.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.39 106.45 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.487 HG12 ' CB ' ' A' ' 49' ' ' CYS . 14.3 m -100.12 -39.16 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.069 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.406 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 52.27 -99.96 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -87.21 -29.86 21.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.904 0.383 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 79.1 p -83.22 32.68 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.0 156.99 38.7 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.52 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.599 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -131.38 121.57 24.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.915 -179.886 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -94.23 115.59 27.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.806 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.473 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 19.8 t -86.07 168.16 14.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 62.9 mmt-85 -68.85 -28.91 67.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.1 p -69.24 -0.82 6.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.2 45.48 11.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.523 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -134.28 173.07 12.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.827 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.45 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 33.4 tp -114.73 140.22 49.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.943 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.689 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 70.5 m-85 -138.31 154.73 49.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.885 ' SG ' HD12 ' A' ' 51' ' ' LEU . 31.3 p -84.41 24.26 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.58 -31.42 2.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.885 HD12 ' SG ' ' A' ' 49' ' ' CYS . 7.2 mt -71.69 -24.12 61.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.89 0.376 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.401 ' CE1' ' HB3' ' A' ' 31' ' ' CYS . 68.1 m80 -119.45 -2.9 10.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.599 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 28.5 ptt180 -38.58 -43.87 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.481 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 46.0 m-85 -48.07 178.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.417 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 15.8 p -96.65 -56.71 2.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -65.72 -3.9 5.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.481 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 28.0 mmtt -84.11 -45.12 13.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.689 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.3 p-80 -114.41 18.8 16.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 55.42 52.52 11.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 33.2 t -53.81 121.76 30.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.662 0.744 . . . . 0.0 110.845 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.9 Cg_endo -69.77 -34.33 14.76 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.379 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.406 ' O ' ' O ' ' A' ' 61' ' ' PRO . 0.1 OUTLIER -45.55 172.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 65' ' ' LYS . 10.1 t0 -134.77 13.49 3.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.855 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.449 ' C ' ' O ' ' A' ' 63' ' ' ASP . 6.3 p90 -34.22 -32.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.523 ' N ' ' O ' ' A' ' 63' ' ' ASP . 14.6 mttt -43.68 -68.69 0.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.52 -49.45 66.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -43.81 128.66 5.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -172.41 140.73 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.2 m -83.11 117.71 23.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 149.64 126.62 1.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -0.46 6.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.721 2.281 . . . . 0.0 112.335 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.3 m -67.65 94.53 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.3 t -128.45 148.6 50.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.059 -0.856 . . . . 0.0 112.529 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.2 m -122.93 159.87 27.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.881 0.372 . . . . 0.0 110.889 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.8 p -168.48 162.73 12.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.89 88.63 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.3 m -96.4 132.89 41.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 110.841 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 t -105.61 89.3 3.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.401 ' HA3' ' HA ' ' A' ' 8' ' ' PRO . . . 38.03 -158.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.545 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.401 ' HA ' ' HA3' ' A' ' 7' ' ' GLY . 53.5 Cg_endo -69.75 162.66 83.66 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.34 0.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.8 p -168.6 122.38 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.6 t -168.22 142.81 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.9 m -95.92 135.32 37.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -55.83 157.7 4.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.4 t -156.52 134.15 10.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -61.71 140.06 58.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -157.35 137.28 12.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.414 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 8.8 tmtm? -111.46 117.79 34.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.931 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.82 137.04 33.77 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.595 0.712 . . . . 0.0 111.081 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 146.77 61.19 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -67.39 141.85 56.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.539 ' C ' HD12 ' A' ' 20' ' ' LEU . 1.5 pp -70.04 151.17 96.15 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.565 0.697 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.414 ' C ' HD12 ' A' ' 20' ' ' LEU . 53.9 Cg_endo -69.74 119.96 6.82 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.694 2.263 . . . . 0.0 112.361 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -75.11 120.45 81.71 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.59 0.709 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -10.82 29.54 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.338 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -104.53 106.64 17.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -75.75 58.04 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 43.65 54.23 5.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 -138.44 142.61 39.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.412 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 18.9 t -44.35 152.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.632 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -99.7 3.63 45.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.9 tpp -118.97 -46.14 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.424 ' C ' ' HD3' ' A' ' 32' ' ' ARG . 31.8 p -108.13 -15.21 14.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.424 ' HD3' ' C ' ' A' ' 31' ' ' CYS . 2.9 mpp_? 61.97 54.95 2.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.502 ' O ' HG13 ' A' ' 35' ' ' VAL . 24.4 tttp -113.33 144.2 43.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -55.38 108.28 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 33' ' ' LYS . 10.4 m -100.59 -42.9 10.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.489 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 68.13 -107.19 1.96 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tt -94.6 -34.49 12.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.94 0.4 . . . . 0.0 110.925 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.9 p -63.5 -4.3 2.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -41.36 159.88 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.439 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.603 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.2 t80 -133.39 113.78 12.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -87.74 115.54 25.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.408 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 24.7 t -87.66 166.69 14.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -64.63 -33.11 75.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.8 p -65.94 -4.36 6.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.1 45.46 8.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.458 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.404 ' ND2' ' CE2' ' A' ' 29' ' ' PHE . 42.6 m-20 -131.83 171.21 13.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.448 HD11 HG21 ' A' ' 35' ' ' VAL . 20.1 tp -115.86 131.81 56.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.716 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 66.7 m-85 -130.22 154.77 47.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.92 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.951 ' SG ' HD12 ' A' ' 51' ' ' LEU . 30.8 p -83.69 23.7 0.95 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.67 -29.9 2.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.449 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.951 HD12 ' SG ' ' A' ' 49' ' ' CYS . 5.4 mt -73.11 -23.77 60.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' ARG . 67.0 m80 -118.29 -6.77 10.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.603 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 24.4 ptt180 -36.39 -48.56 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.488 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 37.5 m-85 -43.97 156.24 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.408 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 2.8 p -81.23 -31.32 33.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -92.11 19.56 6.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.488 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 57.5 mmtt -112.5 -38.82 4.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.716 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.7 p-80 -115.62 18.5 15.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 56.29 50.44 13.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.408 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 30.6 t -51.6 120.07 14.69 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.622 0.725 . . . . 0.0 110.867 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -31.03 21.14 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.322 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -44.99 168.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 66' ' ' ALA . 0.5 OUTLIER -134.04 12.39 3.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -40.13 -40.76 1.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.502 ' HG2' ' N ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -59.56 -37.73 79.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.882 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.502 ' N ' ' HG2' ' A' ' 65' ' ' LYS . . . -86.48 -26.46 24.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.054 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -66.06 -48.33 71.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.62 139.99 58.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.5 m -63.81 162.42 13.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -147.42 178.1 25.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.476 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -1.14 7.96 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.707 2.271 . . . . 0.0 112.35 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 81.0 p -151.4 127.36 10.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 88.4 p -170.99 116.61 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.535 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 m -164.82 151.59 10.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.894 0.378 . . . . 0.0 110.871 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.7 t -168.12 128.58 1.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.6 -177.43 46.74 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -169.95 130.4 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 0.0 110.868 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 m -129.34 102.26 6.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.43 ' HA3' ' C ' ' A' ' 8' ' ' PRO . . . 69.7 -116.05 6.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.462 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.43 ' C ' ' HA3' ' A' ' 7' ' ' GLY . 53.4 Cg_endo -69.83 172.5 48.97 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.314 0.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.9 m -158.29 152.86 24.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.6 m -165.65 112.96 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.2 t -172.44 122.0 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -172.18 114.31 0.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.9 m -172.65 155.8 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -171.79 112.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -154.36 140.37 18.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -155.32 151.97 28.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -159.04 142.83 11.0 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.583 0.706 . . . . 0.0 111.055 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 162.0 43.75 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.269 . . . . 0.0 112.32 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -78.93 130.11 35.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.551 ' C ' HD12 ' A' ' 20' ' ' LEU . 1.4 pp -91.64 150.43 40.99 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.621 0.724 . . . . 0.0 110.887 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 22' ' ' LYS . 54.1 Cg_endo -69.73 112.78 3.17 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 0.0 112.321 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -35.1 145.71 0.19 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.585 0.707 . . . . 0.0 110.94 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 5.27 1.75 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.706 2.271 . . . . 0.0 112.311 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.6 75.94 1.02 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.7 tttt -52.01 -61.6 2.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -134.86 47.35 2.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.433 ' O ' HD23 ' A' ' 47' ' ' LEU . 20.9 mtt180 -135.03 144.07 47.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 16.6 t -50.49 150.53 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.622 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.65 1.82 40.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.482 ' CE ' ' HA ' ' A' ' 58' ' ' HIS . 0.5 OUTLIER -114.86 -43.57 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.5 p -108.8 -19.81 13.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.9 mmm-85 68.26 54.79 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.3 tttt -117.6 149.14 41.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -62.52 107.13 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.511 HG23 ' N ' ' A' ' 36' ' ' GLY . 11.2 m -94.22 -44.47 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.511 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 67.76 -103.65 1.01 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.457 HD22 ' HA ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -94.54 -34.53 12.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.924 0.393 . . . . 0.0 110.897 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.3 p -67.85 -0.41 4.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.179 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -49.56 166.45 0.34 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.594 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.0 OUTLIER -142.49 121.76 13.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.866 -179.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.31 114.57 26.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.4 t -85.63 166.38 16.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.453 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . 25.9 mmt-85 -65.79 -33.82 76.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.2 p -65.45 -5.23 7.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.08 44.43 7.61 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.433 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -131.66 167.96 18.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.868 0.366 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.525 HD12 ' H ' ' A' ' 40' ' ' PHE . 24.0 tp -113.89 135.4 54.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.685 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 51.5 m-85 -135.98 155.81 49.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.486 ' O ' HD12 ' A' ' 51' ' ' LEU . 26.5 p -80.08 21.73 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.32 -34.53 2.44 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 49' ' ' CYS . 6.4 mp -73.65 -18.03 61.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.904 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 54' ' ' TYR . 43.1 m80 -116.82 -13.59 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.594 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 14.9 ptt180 -39.76 -27.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.584 ' CD2' ' HG3' ' A' ' 57' ' ' LYS . 0.9 OUTLIER -59.01 152.92 18.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.814 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.408 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 14.5 p -76.68 -34.26 58.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -89.58 15.48 9.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.834 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.584 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 38.1 mmtt -107.29 -50.46 3.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.685 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.9 p-80 -107.32 18.82 21.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 55.8 48.17 18.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.416 ' HB2' ' NE2' ' A' ' 58' ' ' HIS . 34.1 t -48.73 118.92 7.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.628 0.728 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -33.58 16.42 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.737 2.291 . . . . 0.0 112.371 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -44.42 168.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.906 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 65' ' ' LYS . 30.7 t0 -134.24 7.17 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.473 ' C ' ' O ' ' A' ' 63' ' ' ASP . 3.0 p90 -32.83 -34.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 63' ' ' ASP . 1.8 ptpt -54.46 -54.23 43.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.92 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -72.44 -40.13 67.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -45.2 92.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -139.56 167.88 21.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.7 t -104.65 110.94 23.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 125.22 -69.86 0.48 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 108.26 2.03 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.4 t -63.38 129.43 40.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.9 m -153.71 127.2 8.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.504 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.3 t -150.55 126.09 10.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 m -145.21 155.36 43.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.27 120.18 1.05 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.6 m -153.15 117.13 4.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 110.885 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -139.61 108.5 5.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.823 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.71 -151.49 20.33 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -176.58 12.81 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.705 -1.789 . . . . 0.0 112.371 -0.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.7 m -157.11 113.82 3.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.6 t -120.52 135.88 54.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.829 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.4 m -139.42 125.89 20.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -142.74 154.11 43.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.2 t -74.23 146.22 43.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -82.17 110.63 17.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -139.39 115.65 10.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -104.06 168.63 8.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.12 123.68 4.43 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.577 0.703 . . . . 0.0 111.075 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 143.37 50.49 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.355 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -140.04 123.7 17.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.04 155.96 40.68 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.643 0.735 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.402 ' O ' ' HD3' ' A' ' 23' ' ' PRO . 53.4 Cg_endo -69.76 128.17 15.64 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.684 2.256 . . . . 0.0 112.339 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -103.66 94.57 6.3 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.727 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 21' ' ' PRO . 53.6 Cg_endo -69.77 81.93 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm 51.45 41.18 28.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.6 mttt 44.71 41.23 4.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.868 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 38.36 45.01 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.2 mtt85 -130.61 142.15 50.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 19.6 t -43.68 149.83 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.629 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -99.2 4.23 46.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.838 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.3 tpp -116.39 -46.7 2.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.0 p -108.27 -19.12 13.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 16.0 mmm180 68.64 54.9 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.5 ' O ' HG13 ' A' ' 35' ' ' VAL . 9.1 ttpp -114.21 141.57 47.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.68 108.8 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.5 HG13 ' O ' ' A' ' 33' ' ' LYS . 6.3 m -102.54 -39.42 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.151 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.417 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 51.55 -98.35 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.7 mt -86.26 -31.05 21.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.859 0.362 . . . . 0.0 110.927 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.5 p -83.62 32.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.43 157.58 36.66 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.461 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.598 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.0 OUTLIER -132.14 120.29 22.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.834 0.35 . . . . 0.0 110.933 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -94.29 113.11 24.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.432 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 23.0 t -84.64 166.99 16.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.453 ' HG3' ' CD2' ' A' ' 64' ' ' TYR . 15.1 mmp_? -68.11 -31.22 70.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.0 p -65.23 -5.37 6.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.99 44.09 7.85 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -133.97 172.24 13.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.451 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 28.5 tp -114.37 140.91 48.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.702 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 72.2 m-85 -138.66 153.31 48.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.942 ' SG ' HD12 ' A' ' 51' ' ' LEU . 31.3 p -83.88 23.16 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.89 -29.14 2.42 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.942 HD12 ' SG ' ' A' ' 49' ' ' CYS . 7.5 mt -73.32 -24.79 60.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.847 0.356 . . . . 0.0 110.944 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -118.67 -3.97 10.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.598 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 32.5 ptt180 -38.79 -48.15 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.484 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 48.0 m-85 -44.25 156.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.427 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 5.0 p -81.32 -33.53 32.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.802 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -89.67 18.04 5.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.484 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 59.4 mmtt -110.6 -41.88 4.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.702 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.9 p-80 -112.73 19.13 17.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 56.15 51.28 12.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.427 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 32.8 t -53.73 120.6 23.75 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.646 0.736 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.415 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.7 Cg_endo -69.76 -30.92 21.48 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.415 ' O ' ' O ' ' A' ' 61' ' ' PRO . 0.1 OUTLIER -45.43 172.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -134.21 -3.06 2.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.471 ' C ' ' O ' ' A' ' 63' ' ' ASP . 0.7 OUTLIER -32.62 -36.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.831 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 63' ' ' ASP . 9.4 mtpt -39.62 -51.88 2.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.57 39.38 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -122.79 -54.52 1.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -118.34 115.04 23.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 m -44.15 121.83 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -155.9 -152.65 6.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.454 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -0.78 7.39 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.67 2.247 . . . . 0.0 112.338 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.6 p -50.82 160.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 54.2 p -150.55 145.09 25.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.501 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 m -161.71 123.55 2.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.849 0.357 . . . . 0.0 110.878 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.9 m -156.09 173.86 16.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.865 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.36 150.29 12.67 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 t -174.89 153.15 1.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.881 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.8 t -174.94 160.4 2.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.809 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.67 -169.34 6.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.488 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -176.79 13.17 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.353 0.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 m -173.24 142.6 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.5 m -159.95 173.59 15.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.3 t -165.01 169.11 16.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -174.87 145.65 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.6 p -154.93 124.51 6.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -140.08 169.21 18.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.846 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -140.15 105.21 4.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -150.41 141.55 23.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.92 150.95 1.36 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.613 0.721 . . . . 0.0 111.053 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 172.06 13.3 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.645 2.23 . . . . 0.0 112.353 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -147.15 155.43 42.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.441 ' C ' HD12 ' A' ' 20' ' ' LEU . 2.0 pp -65.47 151.94 93.32 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.626 0.727 . . . . 0.0 110.91 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 119.22 6.2 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -104.19 128.51 26.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.563 0.697 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -22.79 31.57 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.345 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -137.39 178.02 7.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -101.49 41.63 1.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 45.53 27.31 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -120.5 139.98 52.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.424 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 18.9 t -45.11 150.79 0.38 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.644 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -99.78 5.05 45.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.421 ' CE ' ' HA ' ' A' ' 58' ' ' HIS . 1.5 tpp -118.93 -44.43 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.432 ' HB3' ' CE1' ' A' ' 52' ' ' HIS . 31.2 p -110.5 -17.51 13.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 16.1 mmt180 66.94 55.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.438 ' O ' HG13 ' A' ' 35' ' ' VAL . 30.2 tttt -117.9 130.72 56.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -49.05 113.86 0.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.708 HG21 HD11 ' A' ' 47' ' ' LEU . 3.6 m -104.58 -44.08 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.479 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 69.13 -107.51 2.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tp -89.16 -35.51 16.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.9 0.381 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 24.3 p -69.1 1.09 3.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -51.7 166.1 0.93 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.458 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.606 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.2 t80 -136.56 114.1 10.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.886 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -88.7 113.95 24.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.435 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 23.3 t -84.57 167.53 16.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.844 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.457 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . 20.8 mmt180 -68.56 -29.98 68.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.3 p -68.33 -1.44 6.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.47 45.75 9.47 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.509 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -133.74 169.83 16.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.859 0.361 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.708 HD11 HG21 ' A' ' 35' ' ' VAL . 18.3 tp -113.92 136.57 52.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.693 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 69.0 m-85 -135.53 153.44 51.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.474 ' HB3' HG12 ' A' ' 35' ' ' VAL . 31.3 p -84.15 22.93 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.07 -28.31 2.59 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.51 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.5 mt -73.34 -25.72 60.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.821 0.343 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.432 ' CE1' ' HB3' ' A' ' 31' ' ' CYS . 65.2 m80 -118.7 -2.2 10.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.606 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 35.3 ptt85 -39.67 -47.91 2.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.49 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 40.9 m-85 -43.37 160.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.428 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 3.5 p -84.09 -33.48 24.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.818 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -90.37 18.32 6.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.49 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 24.3 mmtp -110.71 -39.75 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.693 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.8 p-80 -115.54 18.95 15.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 56.54 50.06 13.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.428 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 33.7 t -52.86 120.14 18.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.668 0.747 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.7 Cg_endo -69.74 -32.44 18.65 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.698 2.266 . . . . 0.0 112.33 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.457 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -44.37 169.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.468 ' O ' ' C ' ' A' ' 64' ' ' TYR . 7.8 m-20 -135.02 6.39 3.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.849 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.468 ' C ' ' O ' ' A' ' 63' ' ' ASP . 2.4 p90 -33.2 -39.22 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 63' ' ' ASP . 12.8 ptpt -48.04 -51.7 23.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.81 -38.65 73.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.063 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -51.63 95.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.03 101.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -66.74 -53.76 29.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 124.04 -71.68 0.43 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 121.41 8.1 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.368 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.1 t -104.03 -56.8 2.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 74' ' ' GLY . 60.1 p -51.0 -44.74 61.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 73' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.185 -0.786 . . . . 0.0 112.464 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.7 p -44.93 -48.19 11.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.796 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 t -109.86 145.82 36.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.878 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.31 103.44 0.28 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.9 p -137.56 122.15 18.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.901 0.381 . . . . 0.0 110.88 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.7 m -152.32 167.49 28.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.434 ' N ' ' HA ' ' A' ' 8' ' ' PRO . . . -64.21 -66.68 2.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.468 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.434 ' HA ' ' N ' ' A' ' 7' ' ' GLY . 54.0 Cg_endo -69.73 -50.16 0.2 OUTLIER 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 -1.806 . . . . 0.0 112.387 0.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.5 p -168.01 164.13 13.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 84.4 p -157.79 124.95 5.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.3 p -96.37 42.18 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -95.83 41.9 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -78.16 100.16 6.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -172.65 127.97 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -141.77 136.87 31.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -63.81 149.87 45.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -169.1 143.54 2.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.627 0.727 . . . . 0.0 111.067 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 162.96 40.07 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -144.46 144.24 31.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.443 ' C ' HD12 ' A' ' 20' ' ' LEU . 1.7 pp -82.07 149.73 63.35 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.644 0.735 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.41 ' O ' HD12 ' A' ' 20' ' ' LEU . 53.9 Cg_endo -69.78 124.75 11.38 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.39 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -38.81 143.42 0.46 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.553 0.692 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 0.93 4.93 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -109.3 108.93 19.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 26' ' ' ASN . 48.4 mttp -84.44 76.06 10.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER 37.97 42.8 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -130.52 142.43 50.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.5 t -45.08 152.3 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.639 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.99 2.15 40.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.41 ' SD ' ' O ' ' A' ' 30' ' ' MET . 1.6 tpp -117.04 -44.33 2.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.0 p -108.17 -16.79 14.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 63.12 54.94 2.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.502 ' O ' HG13 ' A' ' 35' ' ' VAL . 42.0 tttt -119.95 133.57 55.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -47.32 119.81 2.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 33' ' ' LYS . 5.9 m -112.85 -36.3 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.59 -109.13 0.83 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.447 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -77.54 -30.66 52.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.874 0.368 . . . . 0.0 110.915 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.6 p -82.75 32.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.73 151.75 25.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.531 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.597 ' CD1' ' HB2' ' A' ' 53' ' ' ARG . 0.6 OUTLIER -126.71 119.34 26.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 0.0 110.887 -179.848 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -95.15 116.98 29.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.8 t -89.26 165.57 14.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.582 ' HG3' ' CD2' ' A' ' 64' ' ' TYR . 11.3 mmp_? -64.91 -34.74 79.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.449 ' HA ' ' CD1' ' A' ' 62' ' ' TYR . 29.2 p -61.71 -8.58 4.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.44 42.09 7.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.455 ' ND2' ' CE2' ' A' ' 29' ' ' PHE . 34.4 m-20 -130.25 168.67 16.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.38 . . . . 0.0 110.87 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.46 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 42.0 tp -113.98 137.55 51.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.711 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 66.2 m-85 -135.32 152.78 51.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.462 ' HB3' HG12 ' A' ' 35' ' ' VAL . 29.0 p -83.54 26.24 0.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.4 -38.31 2.44 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.473 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 mp -69.28 -18.92 63.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.838 0.352 . . . . 0.0 110.932 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -120.98 -4.83 9.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.597 ' HB2' ' CD1' ' A' ' 40' ' ' PHE . 28.3 ptt180 -39.02 -48.24 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.489 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 55.5 m-85 -45.11 172.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.483 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 0.7 OUTLIER -90.78 -49.86 6.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.887 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -73.57 4.94 4.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.489 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 29.6 mmtt -96.04 -31.45 13.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.711 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 5.5 p-80 -126.12 18.71 7.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 55.33 49.03 17.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.483 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 24.6 t -45.16 118.62 3.8 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.613 0.721 . . . . 0.0 110.925 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.8 Cg_endo -69.72 -25.84 28.37 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.375 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.449 ' CD1' ' HA ' ' A' ' 44' ' ' CYS . 0.2 OUTLIER -50.93 -173.92 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.04 -17.83 4.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.582 ' CD2' ' HG3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -40.08 -30.87 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.822 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.46 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 10.6 ptmt -42.43 -40.2 2.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -114.71 -33.55 5.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -61.02 -59.97 4.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.09 88.41 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.087 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.2 t -61.55 151.92 31.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -112.29 -83.73 1.32 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 158.45 56.92 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.671 2.247 . . . . 0.0 112.351 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.2 t -100.85 152.78 20.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.3 t -133.71 124.27 26.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.097 -0.835 . . . . 0.0 112.518 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 3' ' ' SER . 34.0 t -54.19 -47.71 71.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.376 . . . . 0.0 110.853 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 2' ' ' SER . 66.4 p 34.62 44.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.09 80.38 0.32 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.514 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.1 t -105.61 93.37 4.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 110.887 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.8 m -160.94 172.83 16.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.501 ' HA3' ' C ' ' A' ' 8' ' ' PRO . . . -74.01 -106.36 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.552 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.501 ' C ' ' HA3' ' A' ' 7' ' ' GLY . 53.9 Cg_endo -69.71 165.46 76.44 Favored 'Cis proline' 0 C--O 1.231 0.162 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.373 -0.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.5 t -164.22 107.92 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.8 t -165.71 109.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.5 t -152.93 106.61 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.91 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -171.41 119.64 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 98.1 p -156.73 107.99 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -159.17 116.64 2.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -123.02 39.18 4.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -94.48 131.81 39.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -155.54 140.6 12.23 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.589 0.709 . . . . 0.0 111.11 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 164.2 35.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -99.69 135.72 40.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.401 ' HA ' HD13 ' A' ' 20' ' ' LEU . 3.5 mm? -55.46 157.02 7.51 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.601 0.715 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 155.03 66.72 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.652 2.235 . . . . 0.0 112.341 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -100.54 156.92 34.65 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.556 0.693 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -39.85 6.09 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.271 . . . . 0.0 112.35 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -152.5 122.23 6.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 24.9 tptt -82.83 47.23 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.425 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 1.6 p-10 46.07 50.3 11.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.8 mtt-85 -135.43 148.87 49.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.421 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 18.9 t -48.65 150.42 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.637 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -98.49 4.4 48.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.6 tpp -118.87 -45.66 2.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.9 p -106.35 -18.9 13.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.0 mmm-85 68.25 47.17 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.463 ' HG2' ' N ' ' A' ' 34' ' ' LYS . 32.5 tttp -105.71 151.31 24.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.463 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -65.28 111.91 3.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.847 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.434 HG23 ' N ' ' A' ' 36' ' ' GLY . 7.9 m -105.09 -40.91 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.156 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.434 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 50.74 -95.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.76 -31.47 17.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.842 0.353 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.3 p -82.67 32.86 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.136 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.06 153.1 32.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.596 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -127.6 119.76 26.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 110.887 -179.877 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -93.34 113.79 26.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.412 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 24.5 t -85.24 167.17 15.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.424 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . 47.8 mmt-85 -67.9 -31.21 70.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.7 p -67.31 -2.27 5.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.62 46.55 8.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.531 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -134.25 168.91 18.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 0.0 110.962 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.451 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 28.2 tp -113.94 134.97 54.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.715 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 65.8 m-85 -133.15 155.79 48.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 1.02 ' SG ' HD12 ' A' ' 51' ' ' LEU . 30.6 p -84.64 23.88 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.36 -28.72 2.3 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 1.02 HD12 ' SG ' ' A' ' 49' ' ' CYS . 5.0 mt -74.4 -24.91 59.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -117.32 -4.55 11.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.596 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 23.5 ptt180 -39.09 -47.85 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.836 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.491 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 44.3 m-85 -44.79 156.11 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.421 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 6.3 p -80.8 -32.63 35.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -90.37 19.16 5.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.491 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 12.1 mmtp -111.98 -42.6 3.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.715 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.8 p-80 -112.34 18.43 18.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 56.73 50.28 12.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.421 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 32.2 t -53.0 120.75 20.5 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.603 0.716 . . . . 0.0 110.923 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -32.02 19.36 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.347 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.424 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -45.64 168.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 65' ' ' LYS . 1.6 m-20 -134.53 5.87 3.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.483 ' C ' ' O ' ' A' ' 63' ' ' ASP . 2.9 p90 -31.73 -37.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 63' ' ' ASP . 14.9 pttp -48.49 -52.42 22.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.2 -41.94 63.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -46.74 144.33 2.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -154.41 148.24 25.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.5 m -128.83 89.59 2.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 147.63 -153.67 25.45 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 149.22 66.69 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.66 2.24 . . . . 0.0 112.365 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 91.2 p -69.96 144.72 52.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.6 t -103.28 106.57 17.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.495 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -164.44 170.7 15.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.855 0.36 . . . . 0.0 110.844 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -153.54 175.01 13.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.89 -179.58 27.66 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 t -173.72 159.79 3.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.892 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.5 p -172.28 140.59 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 41.72 -162.7 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 179.15 23.21 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.356 0.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.9 p -130.78 -61.11 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -172.14 151.1 2.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.829 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.9 p -174.17 130.69 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -106.35 86.88 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.6 p -167.6 107.98 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -84.65 35.88 0.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -69.92 90.15 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 mmtm -111.66 129.78 55.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.476 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -162.71 157.03 18.19 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 111.103 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.476 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 53.1 Cg_endo -69.8 144.6 54.32 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.704 2.27 . . . . 0.0 112.296 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.41 ' CD ' ' H ' ' A' ' 19' ' ' GLU . 32.1 mp0 -54.66 168.26 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -46.44 156.71 0.48 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.587 0.708 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 117.39 5.05 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -129.24 91.7 41.11 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.543 0.687 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 3.65 2.68 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.672 2.248 . . . . 0.0 112.306 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.46 105.95 8.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -81.4 44.01 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.473 ' ND2' ' HA2' ' A' ' 36' ' ' GLY . 6.8 t-20 63.17 37.07 11.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -121.76 140.35 52.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.9 t -42.74 151.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.612 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -101.36 2.26 39.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.582 ' SD ' ' CD2' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -118.0 -38.09 3.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.862 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.5 p -113.8 -18.12 11.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 64.45 54.87 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.44 ' O ' HG13 ' A' ' 35' ' ' VAL . 28.0 tttm -121.49 135.94 54.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -50.78 114.13 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.509 HG12 ' HB3' ' A' ' 49' ' ' CYS . 6.1 m -103.95 -35.65 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.473 ' HA2' ' ND2' ' A' ' 26' ' ' ASN . . . 54.23 -109.8 1.31 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.22 -29.38 42.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.858 0.361 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.6 p -83.37 31.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.54 156.62 33.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.599 ' CZ ' ' HD2' ' A' ' 53' ' ' ARG . 1.0 OUTLIER -131.2 120.55 23.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.892 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -95.93 112.27 24.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.3 t -84.2 167.22 16.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.462 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . 13.8 mmm-85 -68.84 -30.88 69.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 46' ' ' ASN . 24.9 p -68.23 -0.4 4.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.19 47.33 9.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.498 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.468 ' ND2' ' CE2' ' A' ' 29' ' ' PHE . 33.2 m-20 -134.44 167.1 21.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.504 HD11 HG21 ' A' ' 35' ' ' VAL . 38.5 tp -113.73 136.79 52.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.672 ' CE2' ' CG ' ' A' ' 58' ' ' HIS . 57.1 m-85 -136.61 151.46 49.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.509 ' HB3' HG12 ' A' ' 35' ' ' VAL . 28.1 p -80.62 19.13 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.24 -29.18 3.98 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 mp -75.87 -22.94 55.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.832 0.349 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.582 ' CD2' ' SD ' ' A' ' 30' ' ' MET . 54.7 m80 -117.98 -6.83 10.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.599 ' HD2' ' CZ ' ' A' ' 40' ' ' PHE . 19.6 ptt85 -39.57 -51.79 2.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.494 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 35.3 m-85 -38.52 155.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.43 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 66.0 p -79.34 -31.81 43.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -91.96 18.88 7.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.494 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 40.8 mmtm -114.98 -35.51 4.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.672 ' CG ' ' CE2' ' A' ' 48' ' ' PHE . 5.8 p-80 -119.08 17.01 13.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 55.94 54.24 8.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 32.9 t -56.15 117.63 17.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.657 0.741 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.6 Cg_endo -69.84 -33.02 17.12 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.667 2.245 . . . . 0.0 112.318 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.462 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -45.7 172.92 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.945 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 65' ' ' LYS . 3.7 m-20 -135.0 9.48 3.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 63' ' ' ASP . 3.4 p90 -36.42 -30.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 63' ' ' ASP . 21.0 pttp -63.43 -47.48 81.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . -121.64 50.78 1.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -106.3 -14.89 14.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -113.91 97.0 6.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.3 t -86.57 -57.73 2.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 159.98 -82.65 0.14 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -178.1 2.18 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 63.6 p -84.73 42.87 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.6 t -125.7 90.87 3.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.473 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -169.66 158.96 7.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.1 p -126.72 130.84 51.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.67 43.14 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -105.05 86.65 2.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.877 0.37 . . . . 0.0 110.858 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -166.88 110.07 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.475 ' HA2' ' C ' ' A' ' 8' ' ' PRO . . . 132.03 166.12 11.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.475 ' C ' ' HA2' ' A' ' 7' ' ' GLY . 54.0 Cg_endo -69.76 171.18 54.91 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.347 0.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.1 m -105.59 119.63 39.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.818 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.3 p -153.86 163.51 39.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.0 t -153.67 134.22 13.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -146.87 147.83 31.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.5 p -157.82 125.42 5.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -131.03 102.73 6.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -159.81 130.7 5.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' HD2' ' C ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -168.66 174.21 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.929 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.415 ' HB1' ' HD2' ' A' ' 18' ' ' PRO . . . -124.66 155.52 69.45 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.606 0.717 . . . . 0.0 111.128 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.415 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 54.4 Cg_endo -69.74 115.4 4.07 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.363 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -161.31 123.11 2.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.2 mt -142.57 152.6 60.4 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.65 0.738 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 178.82 4.16 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.695 2.263 . . . . 0.0 112.35 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -42.08 153.44 0.29 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.546 0.689 . . . . 0.0 110.912 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.446 ' C ' ' HD3' ' A' ' 24' ' ' LYS . 53.4 Cg_endo -69.75 -52.01 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.351 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.446 ' HD3' ' C ' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -128.96 77.61 1.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -60.81 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -132.72 43.06 3.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.667 ' O ' HD23 ' A' ' 47' ' ' LEU . 19.1 mtt180 -132.98 142.02 48.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.836 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.418 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 17.0 t -47.7 151.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.613 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.7 2.4 41.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -115.32 -47.23 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 32' ' ' ARG . 31.8 p -106.48 -18.04 14.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER 65.59 54.92 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.478 ' O ' HG13 ' A' ' 35' ' ' VAL . 28.7 tttm -116.54 140.72 49.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -55.94 107.43 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 33' ' ' LYS . 19.8 m -99.1 -38.09 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 54.6 -110.19 1.53 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.534 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.4 mt -79.58 -28.42 41.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.909 0.385 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 24.1 p -85.62 33.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.57 168.5 42.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.603 ' CZ ' ' HD2' ' A' ' 53' ' ' ARG . 1.1 t80 -141.46 124.72 16.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.872 0.368 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -98.58 114.38 26.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.421 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 23.2 t -85.34 166.75 16.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.517 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . 23.1 mmt180 -69.4 -28.71 66.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.3 p -69.27 -1.17 7.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.29 46.78 8.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.446 ' ND2' ' CE2' ' A' ' 29' ' ' PHE . 36.5 m-20 -137.06 168.34 19.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.876 0.369 . . . . 0.0 110.862 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.667 HD23 ' O ' ' A' ' 27' ' ' ARG . 20.3 tp -112.33 140.59 46.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.685 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 64.7 m-85 -138.92 153.39 48.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.459 ' HB3' HG12 ' A' ' 35' ' ' VAL . 28.2 p -82.59 23.64 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.37 -32.34 2.33 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 49' ' ' CYS . 5.3 mp -72.81 -22.9 60.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.457 ' O ' ' C ' ' A' ' 53' ' ' ARG . 51.2 m80 -115.82 -12.86 11.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.603 ' HD2' ' CZ ' ' A' ' 40' ' ' PHE . 21.7 ptt180 -33.97 -48.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.525 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 62.8 m-85 -45.74 150.07 0.56 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.455 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 16.7 p -74.46 -38.32 62.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -85.5 20.39 2.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.525 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 2.4 mmmp? -114.53 -37.94 4.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.685 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 7.1 p-80 -118.61 21.2 12.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 54.36 50.6 15.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.455 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 38.2 t -53.84 121.32 27.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.635 0.731 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -32.37 18.58 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.656 2.237 . . . . 0.0 112.347 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.517 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -44.32 167.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.949 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 66' ' ' ALA . 3.6 m-20 -134.98 12.63 3.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -40.22 -30.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 66' ' ' ALA . 24.3 pttt -60.79 -44.13 97.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.434 ' N ' ' HG3' ' A' ' 65' ' ' LYS . . . -100.21 39.96 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.084 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -128.47 -55.4 1.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -161.91 147.82 13.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.066 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.8 m 46.31 48.7 13.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -128.85 65.55 0.58 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 179.92 3.37 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.729 2.286 . . . . 0.0 112.348 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.0 m -103.71 94.11 5.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 t -78.12 144.6 36.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.482 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 m -154.66 147.09 23.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.886 0.374 . . . . 0.0 110.889 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.2 p -171.92 170.42 5.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.64 129.1 2.13 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 p -116.58 133.13 56.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.915 0.388 . . . . 0.0 110.852 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -150.83 176.39 11.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.459 ' HA3' ' C ' ' A' ' 8' ' ' PRO . . . -81.08 -115.41 0.35 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.448 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.459 ' C ' ' HA3' ' A' ' 7' ' ' GLY . 53.2 Cg_endo -69.79 -179.39 19.09 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.657 -1.809 . . . . 0.0 112.351 0.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 m -127.96 144.32 51.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 84.9 p -171.56 141.88 1.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.1 m -102.87 172.51 6.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -156.38 124.63 5.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.6 m -132.83 172.53 12.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -125.41 150.68 47.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -126.02 79.47 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.07 152.66 10.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -155.47 145.21 15.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.6 0.714 . . . . 0.0 111.094 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 168.35 21.81 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.655 2.237 . . . . 0.0 112.327 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 20' ' ' LEU . 8.2 pt-20 -110.78 176.45 5.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.456 ' H ' ' CD2' ' A' ' 20' ' ' LEU . 3.3 mm? -38.1 152.88 0.15 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.639 0.733 . . . . 0.0 110.933 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 156.23 63.87 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.71 2.274 . . . . 0.0 112.306 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -130.74 149.1 72.65 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.587 0.708 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -33.02 17.53 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.736 2.291 . . . . 0.0 112.304 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.3 mmtt -143.88 121.37 11.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 26' ' ' ASN . 5.3 ttpm? -78.61 54.79 1.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.647 ' O ' HG22 ' A' ' 35' ' ' VAL . 28.2 p30 32.69 45.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -120.35 140.3 51.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.424 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 17.5 t -47.29 152.67 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.623 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -101.0 2.91 41.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -117.13 -44.95 2.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.422 ' HB3' ' CE1' ' A' ' 52' ' ' HIS . 30.0 p -110.25 -15.77 13.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 1.6 mpt_? 63.86 54.9 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.488 ' O ' HG13 ' A' ' 35' ' ' VAL . 30.7 tttp -113.26 141.59 46.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -56.38 108.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.647 HG22 ' O ' ' A' ' 26' ' ' ASN . 3.6 m -101.48 -26.7 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 43.74 -92.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 35' ' ' VAL . 7.3 mp -98.06 -27.95 13.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.917 0.389 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 35' ' ' VAL . 58.1 p -82.31 36.53 0.47 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.1 164.04 40.16 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.597 ' CZ ' ' HD2' ' A' ' 53' ' ' ARG . 1.2 t80 -139.77 116.34 10.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -91.01 113.62 25.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.405 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 23.9 t -85.52 166.65 16.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.429 ' HG3' ' CD2' ' A' ' 64' ' ' TYR . 6.8 mmm180 -66.39 -33.28 75.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 31.5 p -64.38 -5.68 5.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.93 44.72 7.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.463 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -132.62 169.64 16.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 0.0 110.828 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.583 HD11 HG21 ' A' ' 35' ' ' VAL . 19.5 tp -113.44 135.48 53.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.721 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 71.9 m-85 -134.14 152.42 51.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.509 ' HB3' HG12 ' A' ' 35' ' ' VAL . 30.5 p -83.17 22.72 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.38 -28.62 2.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.7 mt -73.25 -25.27 60.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.422 ' CE1' ' HB3' ' A' ' 31' ' ' CYS . 64.6 m80 -118.68 -4.77 10.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.597 ' HD2' ' CZ ' ' A' ' 40' ' ' PHE . 27.7 ptt85 -37.72 -47.92 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.481 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 53.4 m-85 -43.29 160.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.409 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 4.6 p -83.73 -34.41 24.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.847 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -90.01 18.69 5.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.481 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 47.1 mmtt -110.54 -39.62 4.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.721 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.7 p-80 -116.2 18.63 15.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 56.64 50.67 12.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.409 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 31.9 t -52.95 119.08 15.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.614 0.721 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' A' ' 62' ' ' TYR . 54.3 Cg_endo -69.77 -30.81 21.66 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.661 2.241 . . . . 0.0 112.386 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.447 ' CD2' ' HB3' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -44.76 171.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -134.18 -0.66 3.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.488 ' O ' ' C ' ' A' ' 65' ' ' LYS . 0.9 OUTLIER -35.34 -43.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.761 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 64' ' ' TYR . 11.7 pttp -31.0 -42.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.478 ' O ' ' C ' ' A' ' 67' ' ' GLU . . . -131.3 -54.17 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 66' ' ' ALA . 2.0 pt-20 32.2 42.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.72 -49.73 3.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.1 p -94.05 133.43 37.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.19 95.27 0.9 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.451 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -9.28 25.72 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.0 m -130.2 -52.53 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.4 t -131.36 109.26 10.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.511 179.973 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -153.93 174.19 14.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.885 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.4 p -167.95 163.02 13.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.02 153.7 24.9 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.436 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -170.49 120.53 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.3 p -163.28 145.75 10.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.474 ' HA3' ' C ' ' A' ' 8' ' ' PRO . . . -75.51 -114.77 0.11 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.473 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.474 ' C ' ' HA3' ' A' ' 7' ' ' GLY . 53.9 Cg_endo -69.75 178.83 24.06 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.358 0.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -153.59 108.83 3.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.9 t -168.89 130.14 1.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.6 m -156.38 141.11 17.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.809 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -152.36 105.46 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 m -163.4 143.64 8.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -174.66 131.5 0.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -152.91 125.28 8.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' A' ' 17' ' ' ALA . 17.7 tttm -88.25 144.09 26.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.455 ' N ' ' HG2' ' A' ' 16' ' ' LYS . . . -107.36 137.24 19.57 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.578 0.704 . . . . 0.0 111.091 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 167.42 24.5 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.356 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -152.69 138.44 17.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.44 ' H ' HD22 ' A' ' 20' ' ' LEU . 3.9 mm? -42.18 154.15 0.27 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.63 0.729 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 108.62 2.13 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.713 2.275 . . . . 0.0 112.354 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -110.56 141.69 24.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.626 0.727 . . . . 0.0 110.844 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -14.4 35.97 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.665 2.243 . . . . 0.0 112.319 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -141.82 110.45 6.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.918 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -50.81 -178.68 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -77.0 47.91 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.462 ' O ' HD23 ' A' ' 47' ' ' LEU . 26.1 mtt180 -138.94 148.99 44.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.7 t -49.55 151.89 1.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.632 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.58 4.09 43.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.623 ' SD ' ' CD2' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -119.73 -40.6 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.468 ' HB3' ' CE1' ' A' ' 52' ' ' HIS . 31.7 p -112.65 -16.89 12.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 64.07 54.49 1.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.486 ' O ' HG13 ' A' ' 35' ' ' VAL . 47.8 tttt -115.5 139.82 49.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -55.11 111.03 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.628 HG21 HD11 ' A' ' 47' ' ' LEU . 3.5 m -104.18 -43.24 8.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.471 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 55.78 -101.44 0.13 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.485 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.1 mt -84.64 -30.67 24.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.906 0.384 . . . . 0.0 110.898 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.1 p -84.08 32.3 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.51 159.06 38.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.605 ' CZ ' ' HD2' ' A' ' 53' ' ' ARG . 1.1 t80 -132.6 110.7 10.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.868 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 41' ' ' ASP . 3.3 p30 -89.22 113.66 24.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.3 t -86.55 166.19 15.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.592 ' HG3' ' CD2' ' A' ' 64' ' ' TYR . 2.8 mmp_? -66.14 -33.33 75.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 28.6 p -61.94 -8.47 5.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.64 42.7 7.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -131.84 169.19 16.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.886 0.374 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.628 HD11 HG21 ' A' ' 35' ' ' VAL . 18.4 tp -114.82 135.25 54.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.659 ' CE2' ' CG ' ' A' ' 58' ' ' HIS . 67.1 m-85 -133.54 151.61 51.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 1.019 ' SG ' HD12 ' A' ' 51' ' ' LEU . 31.4 p -82.99 21.44 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.05 -28.05 2.97 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 1.019 HD12 ' SG ' ' A' ' 49' ' ' CYS . 5.9 mt -74.17 -25.09 59.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.811 0.339 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.623 ' CD2' ' SD ' ' A' ' 30' ' ' MET . 67.7 m80 -119.23 -3.94 10.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.605 ' HD2' ' CZ ' ' A' ' 40' ' ' PHE . 22.6 ptt180 -38.33 -49.0 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.494 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 33.6 m-85 -39.96 152.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.422 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 2.8 p -77.68 -29.5 51.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -94.7 20.0 9.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.494 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 39.2 mmtm -116.17 -30.13 6.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.659 ' CG ' ' CE2' ' A' ' 48' ' ' PHE . 4.8 p-80 -122.67 18.56 10.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 54.57 53.22 11.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 28.4 t -52.48 116.64 9.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.722 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.423 ' O ' ' O ' ' A' ' 62' ' ' TYR . 54.3 Cg_endo -69.68 -26.95 27.46 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.423 ' O ' ' O ' ' A' ' 61' ' ' PRO . 0.2 OUTLIER -47.48 178.18 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -125.83 -18.21 5.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 179.908 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.592 ' CD2' ' HG3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -36.98 -31.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.832 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 63' ' ' ASP . 19.9 pttt -39.06 -41.44 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.93 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.32 -39.55 12.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.55 92.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -162.89 124.6 2.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.3 m 39.32 41.37 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 122.54 136.51 4.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.66 -34.1 15.62 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.707 2.271 . . . . 0.0 112.362 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 73.2 m -144.15 136.35 26.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.5 m -92.13 42.37 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.475 -179.935 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.2 p -169.39 146.03 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.889 0.376 . . . . 0.0 110.881 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.3 p -55.52 150.91 11.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.09 136.95 5.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.526 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -148.56 114.41 5.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.873 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 m -143.83 172.02 13.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.37 -163.69 39.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.452 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 134.61 30.21 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.351 0.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -142.5 167.36 22.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.9 m -141.88 145.66 34.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.5 p -120.11 110.1 16.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -143.47 126.68 16.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 85.9 p -151.33 137.83 18.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -154.1 123.08 6.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -121.84 40.45 3.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -147.63 -178.46 6.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.477 ' N ' ' HD2' ' A' ' 16' ' ' LYS . . . -154.27 145.41 16.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.587 0.708 . . . . 0.0 111.119 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 107.76 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.722 2.281 . . . . 0.0 112.334 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -133.15 151.95 51.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.561 ' C ' HD12 ' A' ' 20' ' ' LEU . 2.4 pp -111.55 152.72 44.21 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.618 0.723 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 120.56 7.32 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.709 2.273 . . . . 0.0 112.336 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.481 ' C ' ' H ' ' A' ' 24' ' ' LYS . 25.8 mtmt -97.7 126.5 40.79 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.548 0.69 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.462 ' C ' ' HG3' ' A' ' 24' ' ' LYS . 53.9 Cg_endo -69.74 20.75 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.709 2.273 . . . . 0.0 112.34 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.517 ' CD ' ' O ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER 35.15 39.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -39.42 -58.56 1.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.945 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -135.0 34.96 3.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.624 ' O ' HD23 ' A' ' 47' ' ' LEU . 12.3 mtt85 -130.03 137.81 50.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.409 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 18.2 t -45.95 151.86 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.597 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.74 1.53 40.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.7 tpp -114.75 -46.97 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.6 p -106.85 -18.3 13.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? 64.86 54.91 1.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.52 ' O ' HG13 ' A' ' 35' ' ' VAL . 30.8 tttm -117.32 139.37 50.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -52.54 109.46 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.563 HG21 HD11 ' A' ' 47' ' ' LEU . 5.9 m -101.64 -41.35 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.452 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 63.86 -106.96 1.55 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -87.13 -33.9 19.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.938 0.399 . . . . 0.0 110.966 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.9 p -68.39 0.11 4.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -52.63 163.32 1.98 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.46 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.595 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.4 t80 -138.11 117.97 13.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 110.869 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -92.23 111.02 22.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.0 t -84.38 166.95 16.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.599 ' HG3' ' CD2' ' A' ' 64' ' ' TYR . 22.0 mmt180 -68.42 -33.44 74.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.464 ' HA ' ' CD1' ' A' ' 62' ' ' TYR . 31.5 p -62.57 -7.83 5.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.87 43.04 6.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 -133.16 170.66 15.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.624 HD23 ' O ' ' A' ' 27' ' ' ARG . 11.6 tp -117.24 135.48 53.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.718 ' CE2' ' CG ' ' A' ' 58' ' ' HIS . 48.8 m-85 -134.01 155.12 50.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.521 ' O ' HD12 ' A' ' 51' ' ' LEU . 26.6 p -81.85 22.95 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.82 -33.47 2.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 49' ' ' CYS . 5.8 mp -74.03 -19.45 60.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 53' ' ' ARG . 47.3 m80 -116.49 -12.28 11.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.595 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 21.3 ptt85 -35.58 -52.97 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.496 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 35.0 m-85 -38.83 156.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.413 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 18.2 p -79.85 -34.26 39.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -90.08 18.69 5.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.496 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 36.1 mmtm -112.22 -39.4 4.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.718 ' CG ' ' CE2' ' A' ' 48' ' ' PHE . 5.8 p-80 -116.87 18.2 14.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.838 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 55.65 50.97 13.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.416 ' HB2' ' NE2' ' A' ' 58' ' ' HIS . 32.6 t -51.37 119.24 12.37 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.43 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.9 Cg_endo -69.72 -27.16 27.02 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.654 2.236 . . . . 0.0 112.37 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.464 ' CD1' ' HA ' ' A' ' 44' ' ' CYS . 0.3 OUTLIER -47.61 178.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.6 OUTLIER -128.78 -16.51 4.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.599 ' CD2' ' HG3' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -35.44 -31.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 -179.832 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' A' ' 63' ' ' ASP . 11.6 ptpt -40.95 -44.29 2.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -112.65 46.33 1.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -86.69 40.34 0.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -121.99 -55.92 1.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.072 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.9 m -63.26 141.4 58.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 173.56 63.14 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -176.45 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.328 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.2 t -91.09 82.9 5.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.3 t -109.62 94.68 5.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.83 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.068 -0.851 . . . . 0.0 112.441 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 p -162.77 145.92 11.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.901 0.382 . . . . 0.0 110.866 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -165.73 173.66 10.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.18 -178.4 35.12 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.524 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.2 p -169.88 174.96 5.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 m -155.65 150.26 26.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.25 -166.19 0.5 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 178.86 24.04 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.335 0.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.6 m -137.0 146.49 45.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.4 p -137.55 174.56 10.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.7 t -145.04 108.0 4.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.838 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -139.9 153.9 47.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.0 t -120.83 118.85 31.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -171.68 131.95 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -138.37 108.77 6.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -103.54 166.65 10.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -163.11 129.38 2.33 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.554 0.692 . . . . 0.0 111.069 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 113.66 3.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 0.0 112.363 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -97.15 47.45 1.04 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.4 mt -76.61 158.19 81.31 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.611 0.719 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 134.7 28.69 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.665 2.243 . . . . 0.0 112.404 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.424 ' N ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -103.4 120.84 50.59 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.591 0.71 . . . . 0.0 110.926 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 2.69 3.31 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.26 . . . . 0.0 112.324 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.47 -33.94 2.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.435 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 57.2 mttt 38.82 40.93 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.435 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 1.5 p-10 46.58 49.14 13.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.446 ' O ' HD23 ' A' ' 47' ' ' LEU . 18.7 mtt180 -137.3 152.05 49.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.42 ' SG ' ' HA ' ' A' ' 48' ' ' PHE . 18.5 t -51.5 150.7 3.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.63 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -99.12 3.67 46.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.413 ' SD ' ' O ' ' A' ' 30' ' ' MET . 1.4 tpp -118.66 -44.53 2.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.0 p -108.18 -17.42 14.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 0.9 OUTLIER 65.48 54.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' O ' HG13 ' A' ' 35' ' ' VAL . 20.0 tttp -112.83 147.79 36.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.67 107.63 1.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.559 HG21 HD11 ' A' ' 47' ' ' LEU . 12.2 m -101.68 -39.52 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.41 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 50.15 -96.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.3 mt -88.28 -29.35 20.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.899 0.38 . . . . 0.0 110.925 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.7 p -85.07 33.47 0.54 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.62 157.13 35.76 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.533 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.589 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 1.1 t80 -131.65 119.77 21.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.868 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.57 111.56 23.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.407 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 23.6 t -83.66 166.99 17.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.561 ' HG3' ' CD2' ' A' ' 64' ' ' TYR . 7.3 mmm180 -67.2 -31.55 72.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 32.1 p -66.18 -4.63 7.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.84 45.36 7.77 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.496 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -134.41 169.92 16.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.559 HD11 HG21 ' A' ' 35' ' ' VAL . 20.1 tp -113.36 137.79 51.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.698 ' CZ ' ' CE1' ' A' ' 58' ' ' HIS . 70.4 m-85 -135.87 153.94 51.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.978 ' SG ' HD12 ' A' ' 51' ' ' LEU . 30.1 p -83.5 24.59 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.18 -29.58 2.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.506 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.978 HD12 ' SG ' ' A' ' 49' ' ' CYS . 6.1 mt -72.91 -25.97 61.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.857 0.36 . . . . 0.0 110.94 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -117.46 -3.99 11.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.589 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 33.6 ptt180 -38.3 -41.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.483 ' HB2' ' CG ' ' A' ' 57' ' ' LYS . 55.5 m-85 -48.98 -179.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.412 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 60.7 p -97.14 -55.56 2.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.821 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -0.55 4.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 54' ' ' TYR . 29.8 mmtm -87.71 -45.98 9.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.698 ' CE1' ' CZ ' ' A' ' 48' ' ' PHE . 6.2 p-80 -113.71 19.0 17.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 54.96 49.39 17.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.412 ' HB2' ' HA ' ' A' ' 55' ' ' SER . 34.1 t -48.85 119.77 8.62 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.584 0.707 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.414 ' O ' ' O ' ' A' ' 62' ' ' TYR . 53.4 Cg_endo -69.82 -27.8 25.76 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.331 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.464 ' CE2' ' HB3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -46.18 174.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.963 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.42 -7.28 4.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.561 ' CD2' ' HG3' ' A' ' 43' ' ' ARG . 0.3 OUTLIER -38.67 -37.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 -179.859 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -33.39 -38.53 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 64' ' ' TYR . . . -125.81 51.02 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -83.72 91.74 7.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -172.99 151.86 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.09 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.0 t -118.98 127.37 53.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 118.31 157.78 10.65 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.536 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -2.24 9.81 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.729 2.286 . . . . 0.0 112.307 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 t -39.41 121.1 1.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.3 t -57.89 141.81 48.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.435 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_