data_2dzj_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 2dzj _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.4 m80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.838 0.352 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -90.88 146.38 23.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.424 ' HG2' ' CG ' ' A' ' 28' ' ' ASP . 28.2 mt-10 -107.39 110.6 22.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.5 t -119.28 109.45 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 pm0 -100.34 101.5 12.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.9 mt -75.27 100.66 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.0 mt -99.07 168.93 9.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -84.97 156.91 20.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.72 3.17 55.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.62 -64.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.3 p -89.74 -4.79 57.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 41.19 46.13 2.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -99.42 139.68 34.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -58.32 113.13 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.1 mt -101.11 -40.08 7.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.5 t -153.71 142.89 21.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -126.0 111.53 14.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.8 mt -109.79 92.58 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.424 ' CG ' ' HG2' ' A' ' 12' ' ' GLU . 13.2 t0 -91.8 13.73 17.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -127.98 43.55 3.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.455 ' CG1' ' CD1' ' A' ' 72' ' ' LEU . 40.5 t -100.55 145.75 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -83.22 148.07 55.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.64 0.733 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.564 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.73 -39.28 6.75 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.698 2.266 . . . . 0.0 112.35 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 -77.4 -8.53 57.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.23 129.59 40.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 76.5 p -85.41 154.67 21.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.5 mm -41.79 -42.87 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.81 -50.78 43.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -58.59 -42.63 88.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.4 mm -46.44 -50.16 5.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -53.61 -52.37 60.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -45.65 -48.9 14.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.1 mt -51.09 -63.37 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.437 ' CG ' ' OE1' ' A' ' 55' ' ' GLN . 9.3 t80 -44.69 -31.63 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 45' ' ' LYS . 1.8 m -67.6 -41.83 83.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 44' ' ' THR . 66.8 mttm -36.89 -68.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.5 m -56.9 -57.12 13.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -106.08 93.82 8.41 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.614 0.721 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -36.52 10.85 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.699 2.266 . . . . 0.0 112.394 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -54.63 -29.93 53.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 17.0 m0 -87.21 114.54 23.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.518 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -91.52 161.87 33.18 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.659 0.742 . . . . 0.0 110.946 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -30.86 21.49 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.88 -17.58 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.518 ' HD2' ' CZ ' ' A' ' 51' ' ' TYR . 36.4 mtt180 -103.73 -62.13 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.437 ' OE1' ' CG ' ' A' ' 43' ' ' PHE . 57.5 mt-30 -38.14 109.88 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.8 t -109.92 110.95 22.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.415 ' C ' ' HG3' ' A' ' 58' ' ' ARG . 61.2 mt -94.57 144.37 25.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.415 ' HG3' ' C ' ' A' ' 57' ' ' LEU . 4.5 mtt-85 -149.27 131.82 15.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.1 mt -55.64 -24.66 34.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -148.7 153.05 38.88 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.606 0.717 . . . . 0.0 110.883 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.521 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.4 Cg_endo -69.79 -8.81 24.54 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.315 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -131.18 28.82 4.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -111.76 -122.12 4.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -138.76 177.26 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.4 p -78.68 135.61 37.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 mt -73.23 159.01 34.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -129.12 143.91 51.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -37.07 -46.41 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' ASP . 10.4 pt-20 -34.98 -46.45 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -62.09 147.85 46.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 72' ' ' LEU . 13.1 t -131.62 156.03 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.165 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.455 ' CD1' ' CG1' ' A' ' 30' ' ' VAL . 13.3 mt -64.23 -10.63 24.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -112.01 -19.44 12.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -93.17 -28.94 15.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.523 ' N ' HD23 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -59.46 154.9 41.08 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.731 . . . . 0.0 110.907 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 24.9 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.652 2.235 . . . . 0.0 112.327 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.521 ' H ' ' C ' ' A' ' 75' ' ' LEU . 3.9 t -119.13 170.88 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.402 ' H ' ' CG1' ' A' ' 77' ' ' VAL . . . -107.57 -151.18 16.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 34.1 p -51.47 -39.2 57.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.367 . . . . 0.0 111.127 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.4 m -97.46 96.56 8.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.205 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -94.1 148.7 21.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.076 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.8 m -124.97 124.96 43.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 26.6 mt -119.47 141.52 49.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.521 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 83.3 m-85 -105.31 132.54 51.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.57 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.6 OUTLIER -97.25 145.83 25.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.0 m80 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.867 0.365 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.506 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 4.2 m-85 -92.05 139.64 30.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -102.75 110.09 21.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.1 t -117.81 120.68 65.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -113.03 106.31 14.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.7 mt -80.24 100.53 4.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.3 mt -98.16 169.78 9.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -87.3 156.65 19.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.98 3.39 54.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -124.72 -60.06 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.5 p -93.49 -6.97 45.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 43.93 47.68 7.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -102.13 141.93 34.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -64.12 110.32 2.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.3 mt -97.61 -30.94 12.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t -155.0 144.01 20.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.551 ' CE2' ' OD1' ' A' ' 28' ' ' ASP . 28.2 t80 -129.26 108.16 10.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.0 mt -109.91 102.36 11.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.551 ' OD1' ' CE2' ' A' ' 26' ' ' PHE . 7.4 m-20 -99.53 2.11 44.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -118.29 42.63 2.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.459 HG12 ' CD1' ' A' ' 72' ' ' LEU . 5.2 t -95.38 149.74 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -90.24 147.01 35.91 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.64 0.733 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.506 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.76 -30.91 21.54 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.702 2.268 . . . . 0.0 112.357 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -84.09 -5.66 59.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.0 126.77 30.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.3 p -85.8 157.06 20.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.5 mm -46.03 -42.06 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.07 -45.07 64.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.129 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -65.42 -43.19 91.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.4 mm -51.27 -52.44 19.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -51.66 -41.48 61.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 -59.89 -49.51 77.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.5 mt -47.98 -58.18 4.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -49.63 -31.53 11.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 45' ' ' LYS . 2.9 m -66.43 -41.88 88.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 44' ' ' THR . 37.5 mtpt -34.97 -69.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.1 m -58.74 -54.76 43.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.165 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 51.5 m-70 -104.96 91.77 4.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.642 0.734 . . . . 0.0 110.856 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -33.22 17.28 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.717 2.278 . . . . 0.0 112.369 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -57.07 -31.17 64.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -86.3 116.11 24.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.522 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.4 OUTLIER -95.29 159.79 32.09 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.683 0.754 . . . . 0.0 110.918 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -22.56 31.96 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.662 2.241 . . . . 0.0 112.375 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.26 -26.18 61.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.522 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 7.4 ttm180 -95.35 -35.92 11.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -72.45 132.07 43.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.6 t -119.7 125.45 48.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.0 mt -110.9 141.22 44.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -149.84 139.52 21.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.42 ' CG ' HD22 ' A' ' 66' ' ' LEU . 4.0 mt -62.2 -27.28 68.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.87 151.74 60.42 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.605 0.717 . . . . 0.0 110.876 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.488 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.5 Cg_endo -69.74 -15.3 37.1 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.335 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -124.84 22.72 8.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -101.91 -124.79 5.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.3 ptmm? -138.1 175.62 9.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 83.8 p -75.72 133.99 40.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.42 HD22 ' CG ' ' A' ' 59' ' ' LEU . 7.9 mt -72.26 154.74 40.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.463 ' N ' ' HD3' ' A' ' 67' ' ' LYS . 1.7 mppt? -117.83 149.64 40.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -48.88 -46.32 42.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -41.59 -35.16 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.45 145.5 55.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 72' ' ' LEU . 6.6 t -133.76 159.32 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.459 ' CD1' HG12 ' A' ' 30' ' ' VAL . 12.2 mt -68.26 -11.21 59.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -113.03 -4.28 13.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -114.05 -25.06 8.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.528 ' C ' ' H ' ' A' ' 77' ' ' VAL . 0.4 OUTLIER -60.03 155.42 44.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.55 0.69 . . . . 0.0 110.984 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 25.46 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.676 2.251 . . . . 0.0 112.347 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.528 ' H ' ' C ' ' A' ' 75' ' ' LEU . 6.8 t -120.66 169.78 11.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.186 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.41 ' H ' ' CG1' ' A' ' 77' ' ' VAL . . . -103.62 -154.47 23.96 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.538 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.9 p -50.8 -45.23 59.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 111.12 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.6 m -91.35 93.89 9.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.72 141.35 28.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.9 m -122.15 128.91 51.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 30.3 mt -120.85 143.89 48.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.488 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 88.3 m-85 -106.01 137.91 43.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.541 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -95.0 142.97 26.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.929 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.2 m80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.758 0.313 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.541 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 4.4 m-85 -85.59 138.33 32.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -102.98 109.91 21.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 98.7 t -115.35 111.78 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.429 ' OE1' ' NZ ' ' A' ' 23' ' ' LYS . 5.5 pt-20 -104.5 99.57 9.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.7 mt -77.46 106.41 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.9 mt -102.75 172.5 6.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -90.21 157.11 17.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.02 2.81 56.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -121.38 -63.8 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.3 p -92.46 -9.4 41.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.0 mtm180 48.12 50.53 16.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -105.46 137.47 43.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.429 ' NZ ' ' OE1' ' A' ' 14' ' ' GLU . 4.3 tppt? -60.88 106.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.6 mt -94.86 -31.7 13.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t -151.68 132.35 13.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -122.74 106.33 10.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.3 mt -107.35 102.19 11.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 28' ' ' ASP . 11.7 t0 -99.67 10.8 40.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -125.41 35.29 4.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.6 t -90.35 156.34 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.065 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -96.5 149.23 35.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.541 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.74 -43.87 2.43 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.705 2.27 . . . . 0.0 112.373 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -72.43 -4.03 27.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.62 132.42 48.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.1 p -93.45 152.59 18.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.0 mm -41.19 -42.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.42 -46.83 56.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -66.01 -44.95 83.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.0 mm -50.22 -41.75 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -62.67 -41.68 99.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -57.01 -41.78 79.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.5 mt -57.78 -60.86 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.522 ' CE1' ' OE1' ' A' ' 55' ' ' GLN . 8.2 t80 -46.64 -35.01 5.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 45' ' ' LYS . 3.0 m -65.18 -44.47 88.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 44' ' ' THR . 7.9 mtmp? -34.45 -68.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.5 m -59.39 -55.34 35.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -105.5 90.67 4.23 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.566 0.698 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -31.25 21.3 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.678 2.252 . . . . 0.0 112.398 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -60.24 -30.55 69.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 16.3 m0 -87.17 97.48 10.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.466 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.9 OUTLIER -77.53 160.58 74.65 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.657 0.741 . . . . 0.0 110.94 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -24.85 28.97 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.36 -15.63 63.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.466 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 17.0 ttt85 -105.77 -50.67 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.522 ' OE1' ' CE1' ' A' ' 43' ' ' PHE . 32.3 mt-30 -53.97 121.52 8.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.0 t -111.49 115.48 29.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 65.8 mt -99.27 143.15 29.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -151.98 135.63 16.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.5 mt -56.31 -27.68 56.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -144.11 155.88 58.3 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.618 0.723 . . . . 0.0 110.831 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.47 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 53.4 Cg_endo -69.81 -6.49 18.76 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.71 2.273 . . . . 0.0 112.327 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.44 ' HE3' ' C ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -129.9 16.83 5.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -97.31 -121.26 4.16 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -148.0 175.9 10.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.75 0.31 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.9 t -72.74 137.31 45.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.7 mt -79.83 154.11 28.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -116.37 152.43 33.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.18 -40.55 16.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -44.16 -39.14 4.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -62.98 148.32 47.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.0 t -134.62 155.26 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.3 mt -65.99 -8.8 24.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -113.56 -18.39 11.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -96.34 -27.42 14.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.522 ' C ' ' H ' ' A' ' 77' ' ' VAL . 0.3 OUTLIER -58.71 155.1 32.23 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.704 . . . . 0.0 110.948 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 25.02 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.318 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.522 ' H ' ' C ' ' A' ' 75' ' ' LEU . 5.3 t -119.23 170.11 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 79' ' ' THR . . . -110.13 -165.31 19.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.536 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 78' ' ' GLY . 13.8 p -36.28 -43.19 0.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 111.138 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 89.3 m -94.36 97.95 10.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.414 ' HA ' ' CG1' ' A' ' 77' ' ' VAL . . . -94.86 145.27 25.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.069 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.8 m -128.0 123.32 34.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 46.6 mt -118.8 152.91 35.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.47 ' CE1' ' HD3' ' A' ' 61' ' ' PRO . 92.6 m-85 -115.46 132.33 56.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.508 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.6 OUTLIER -94.96 141.01 29.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.1 tpp85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.885 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.1 m80 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.808 0.337 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.538 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 4.3 m-85 -91.67 144.22 25.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -106.52 111.07 23.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.5 t -118.34 113.05 40.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -107.05 103.54 12.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 95.0 mt -79.15 101.25 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.9 mt -101.69 171.13 7.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -85.74 155.75 20.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.51 4.42 52.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.068 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -123.03 -65.01 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.7 p -90.73 -8.0 50.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 46.87 51.32 12.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -101.83 138.28 39.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.29 105.87 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.3 mt -92.9 -38.39 11.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -153.64 148.87 26.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -135.78 105.92 6.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.0 mt -106.1 100.23 9.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.427 ' O ' ' CG ' ' A' ' 28' ' ' ASP . 16.3 t0 -96.84 16.51 19.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -135.02 42.52 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.0 t -97.38 152.62 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -89.0 148.1 40.29 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.639 0.733 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.538 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.8 Cg_endo -69.74 -31.51 20.47 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.701 2.268 . . . . 0.0 112.327 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -82.4 -15.65 51.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.9 127.58 32.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.7 p -87.73 162.49 17.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.413 ' CG2' ' HE3' ' A' ' 40' ' ' LYS . 41.3 mm -49.31 -43.24 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.38 -48.69 46.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.19 -45.16 89.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 27.2 mm -48.72 -37.36 8.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.413 ' HE3' ' CG2' ' A' ' 36' ' ' ILE . 37.0 mttt -66.81 -41.89 86.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -56.77 -43.69 81.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.3 mt -55.79 -68.78 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -38.86 -47.51 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 45' ' ' LYS . 1.2 m -45.59 -45.72 13.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 44' ' ' THR . 5.8 mtpm? -35.67 -66.68 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.0 m -56.95 -50.52 72.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -112.8 97.77 42.59 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.585 0.707 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -36.41 10.89 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.639 2.226 . . . . 0.0 112.389 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -59.66 -31.41 69.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 13.7 m0 -81.59 93.43 6.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -75.19 160.21 80.7 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.641 0.734 . . . . 0.0 110.947 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -28.43 25.33 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.725 2.283 . . . . 0.0 112.368 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.14 -26.82 65.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -100.78 -45.62 5.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -48.81 98.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 t -98.8 131.59 44.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.421 ' C ' ' HG3' ' A' ' 58' ' ' ARG . 29.4 mt -117.41 144.38 45.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.421 ' HG3' ' C ' ' A' ' 57' ' ' LEU . 14.3 mtt-85 -148.2 135.56 20.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.6 mt -59.23 -22.13 60.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -151.31 153.3 32.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.595 0.712 . . . . 0.0 110.882 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.474 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.9 Cg_endo -69.75 -10.44 28.57 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -128.62 24.44 5.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -101.66 -123.37 5.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.511 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.404 ' C ' ' NH1' ' A' ' 58' ' ' ARG . 31.5 pttt -136.27 -176.23 4.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.785 0.326 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.8 p -83.73 125.07 31.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.59 162.37 26.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -139.0 151.54 46.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 69' ' ' GLU . 13.7 p-10 -43.15 -49.46 6.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 68' ' ' ASP . 13.8 pt-20 -35.47 -37.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -65.67 148.75 51.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.429 HG13 ' N ' ' A' ' 72' ' ' LEU . 15.2 t -135.81 150.42 28.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.429 ' N ' HG13 ' A' ' 71' ' ' VAL . 12.8 mt -60.8 -9.49 4.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.936 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -112.0 -20.35 12.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -90.39 -30.64 17.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.526 ' C ' ' H ' ' A' ' 77' ' ' VAL . 0.3 OUTLIER -60.55 154.79 53.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.646 0.736 . . . . 0.0 110.887 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 25.0 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.667 2.245 . . . . 0.0 112.291 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.526 ' H ' ' C ' ' A' ' 75' ' ' LEU . 8.1 t -118.34 169.22 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -107.77 -153.97 18.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.8 p -48.77 -43.41 37.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.905 0.383 . . . . 0.0 111.127 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.2 m -89.61 89.21 7.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -89.35 147.52 24.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.083 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 34.1 m -129.59 126.23 38.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.8 mt -120.79 150.11 41.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.474 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 86.2 m-85 -113.23 133.96 54.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.553 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 1.3 t80 -96.6 141.19 30.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.5 tpp85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 -179.91 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.4 m80 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.786 0.327 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.5 m-85 -89.11 137.99 31.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -100.16 109.98 22.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.3 t -116.86 114.25 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.161 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.408 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 11.3 pt-20 -104.12 100.5 10.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.9 mt -76.33 98.24 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.1 mt -98.73 172.12 7.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.406 ' HB3' ' N ' ' A' ' 21' ' ' ARG . 35.1 t70 -90.83 157.56 17.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.27 -11.54 43.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -107.13 -75.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.4 p -82.2 -10.8 59.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.406 ' N ' ' HB3' ' A' ' 17' ' ' ASP . 18.0 mtm-85 46.06 51.44 10.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -102.28 132.73 48.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.55 107.79 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.1 mt -96.42 -39.84 9.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -158.57 140.81 14.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.408 ' CE2' ' HB3' ' A' ' 14' ' ' GLU . 14.3 t80 -128.13 105.93 8.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.0 mt -99.14 95.18 6.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -91.87 16.26 11.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -133.08 41.0 3.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.6 t -98.95 149.82 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -87.23 151.47 51.36 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.741 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.551 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 52.9 Cg_endo -69.82 -40.07 5.66 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.634 2.222 . . . . 0.0 112.326 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 -73.24 -20.16 60.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.92 126.79 17.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.0 p -87.85 162.64 16.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.411 ' CG1' ' HB2' ' A' ' 70' ' ' ASP . 42.7 mm -49.24 -43.55 16.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.09 -48.85 33.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -62.82 -47.5 83.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 51.4 mm -45.91 -47.42 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.116 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.7 mttt -57.6 -45.5 85.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -55.08 -52.54 62.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.9 mt -45.77 -63.6 0.93 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -45.24 -40.91 7.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 45' ' ' LYS . 4.2 m -62.13 -42.91 99.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 44' ' ' THR . 39.0 mtpt -34.19 -63.99 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.2 m -61.86 -57.36 12.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.194 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 30.7 m-70 -103.92 97.95 12.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.574 0.702 . . . . 0.0 110.872 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.4 Cg_endo -69.81 -43.72 2.46 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.609 2.206 . . . . 0.0 112.328 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -47.1 -34.8 6.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -82.6 94.65 7.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.444 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 1.0 OUTLIER -73.66 160.21 82.68 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.629 0.728 . . . . 0.0 110.948 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -25.03 28.93 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.25 . . . . 0.0 112.328 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.52 -18.67 65.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.09 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.444 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 9.5 ttt180 -100.96 -50.9 3.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -53.56 117.36 3.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.8 t -113.77 119.26 36.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 75.6 mt -104.0 138.27 40.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.8 mtt-85 -142.92 135.4 27.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.452 ' CG ' HD21 ' A' ' 66' ' ' LEU . 5.8 mt -59.11 -20.82 56.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -153.15 153.74 29.96 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.587 0.708 . . . . 0.0 110.841 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.538 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.5 Cg_endo -69.79 -14.66 36.3 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.713 2.275 . . . . 0.0 112.305 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -124.6 32.89 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -113.43 -122.06 3.82 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -147.82 168.57 21.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.756 0.312 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 55.5 p -64.28 141.51 58.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.452 HD21 ' CG ' ' A' ' 59' ' ' LEU . 7.3 mt -81.57 155.45 25.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 7.0 mptt -115.56 144.83 43.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.14 -43.73 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -44.14 -37.52 3.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.411 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 5.8 m-20 -56.5 150.79 14.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.4 t -139.04 151.54 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.8 mt -62.68 -10.76 13.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -111.4 -18.03 12.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -94.25 -29.39 15.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.526 ' C ' ' H ' ' A' ' 77' ' ' VAL . 0.4 OUTLIER -58.95 155.4 32.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.58 0.705 . . . . 0.0 110.915 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 25.02 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.694 2.263 . . . . 0.0 112.327 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.526 ' H ' ' C ' ' A' ' 75' ' ' LEU . 5.1 t -119.52 170.15 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -107.86 -153.41 17.72 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.522 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.5 p -48.19 -43.82 32.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 111.119 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 62.4 m -92.15 94.28 9.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.08 147.86 22.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 73.8 m -126.55 127.76 45.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 33.9 mt -120.91 142.19 49.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.538 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 83.7 m-85 -107.05 134.69 49.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.433 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 2.9 t80 -94.85 140.66 29.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.95 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.4 m80 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.787 0.327 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.549 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -91.79 144.37 25.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -109.16 109.91 21.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.1 t -114.08 104.92 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -92.72 100.13 12.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.6 mt -77.13 98.17 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.123 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.9 mt -100.47 168.93 9.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -88.64 157.96 18.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.9 -10.23 45.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.18 -75.31 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.3 p -79.32 -14.27 59.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.133 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 51.69 50.74 18.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -103.03 144.63 31.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 105.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 mt -94.89 -37.09 11.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.3 t -149.6 139.56 21.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -129.03 106.1 8.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.3 mt -105.3 108.13 19.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -104.69 15.51 27.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -134.1 42.44 2.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.8 t -96.23 154.09 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -90.39 147.55 36.94 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.569 0.7 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.549 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 54.4 Cg_endo -69.77 -27.33 26.57 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.365 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -90.0 2.19 55.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.96 126.08 28.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 82.3 p -87.32 160.27 18.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.413 ' CG1' ' HB2' ' A' ' 70' ' ' ASP . 27.8 mm -48.98 -38.33 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.02 -45.42 64.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -69.82 -46.83 64.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 37.9 mm -46.6 -40.8 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.091 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -64.13 -43.42 95.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -57.0 -48.83 77.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.9 mt -50.73 -55.73 15.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 5.2 t80 -54.06 -34.07 59.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.9 m -67.66 -35.9 79.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -40.23 -68.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.4 m -55.58 -51.8 65.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -105.79 92.44 6.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -29.54 23.63 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.76 2.306 . . . . 0.0 112.291 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -63.47 -28.34 69.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.942 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 17.0 m0 -89.3 111.48 22.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.444 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 0.4 OUTLIER -88.14 161.67 42.78 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.705 0.764 . . . . 0.0 110.951 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -19.35 36.43 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.718 2.279 . . . . 0.0 112.334 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.12 -2.17 7.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.444 ' HD2' ' CZ ' ' A' ' 51' ' ' TYR . 35.1 mtt180 -119.21 -54.69 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.401 ' OE1' ' CD1' ' A' ' 43' ' ' PHE . 53.4 mt-30 -45.2 109.91 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.0 m -109.04 109.38 20.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.828 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.1 mt -92.21 141.72 28.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -148.47 131.51 16.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.3 mt -54.76 -19.71 6.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -153.35 153.9 29.93 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.641 0.734 . . . . 0.0 110.851 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.469 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.78 -5.94 17.43 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.338 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -129.79 16.43 5.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -96.59 -128.76 5.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -135.44 175.9 9.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.7 p -75.98 129.36 36.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.2 mt -73.73 161.23 30.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -129.78 155.24 46.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -46.42 -42.52 15.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -39.98 -37.82 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.413 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 44.0 m-20 -63.03 156.89 23.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.6 t -141.76 151.86 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.7 mt -66.41 -12.94 59.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -110.68 -16.22 13.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm -97.43 -27.93 14.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.521 ' C ' ' H ' ' A' ' 77' ' ' VAL . 0.3 OUTLIER -59.18 154.94 37.86 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.563 0.697 . . . . 0.0 110.931 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 24.75 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.521 ' H ' ' C ' ' A' ' 75' ' ' LEU . 4.6 t -118.63 170.31 8.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.138 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 79' ' ' THR . . . -112.72 -165.43 16.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 78' ' ' GLY . 19.9 p -34.51 -43.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 111.105 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.9 m -93.81 98.03 10.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.404 ' HA ' ' CG1' ' A' ' 77' ' ' VAL . . . -98.15 146.7 25.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.5 m -128.89 122.03 29.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.4 mt -115.76 145.5 42.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.469 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 82.6 m-85 -109.02 132.47 54.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -95.49 137.5 34.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.923 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.6 m80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.832 0.348 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.6 m-85 -87.89 146.33 25.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.953 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -107.1 109.83 21.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.0 t -116.76 112.08 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.107 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -102.91 101.37 11.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.4 mt -77.33 99.63 2.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.3 mt -99.36 169.62 9.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -86.58 156.51 20.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.24 -0.16 57.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -121.08 -63.88 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.9 p -87.88 -8.71 55.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.5 mtm180 44.31 46.35 7.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -101.77 144.29 30.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.8 tppt? -61.7 108.67 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.8 mt -95.49 -38.3 10.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.1 t -155.43 147.3 23.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -132.34 102.32 5.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.8 mt -102.14 95.37 6.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -92.03 11.24 25.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.48 40.71 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.9 t -95.9 148.92 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -86.68 146.61 41.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.665 0.745 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.564 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 54.1 Cg_endo -69.73 -36.52 10.73 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.356 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -75.51 -23.61 56.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.55 133.79 41.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.8 p -89.92 171.83 9.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.452 ' CG2' ' HE3' ' A' ' 40' ' ' LYS . 37.2 mm -55.71 -44.72 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.8 -47.9 30.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -62.0 -46.15 90.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.6 mm -46.02 -47.68 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.452 ' HE3' ' CG2' ' A' ' 36' ' ' ILE . 0.8 OUTLIER -52.94 -51.37 61.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.843 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -50.91 -55.55 16.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.4 mt -41.56 -47.16 3.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.557 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 4.7 t80 -67.69 -39.79 84.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 m -57.85 -39.33 77.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.167 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -38.05 -62.49 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.7 m -62.69 -58.89 5.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.183 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -101.36 98.84 9.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.59 0.709 . . . . 0.0 110.882 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -46.18 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 2.241 . . . . 0.0 112.332 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -46.59 -30.74 2.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 16.7 m0 -85.47 113.22 21.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -91.0 161.55 35.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.729 0.776 . . . . 0.0 110.895 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -9.79 26.98 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.04 -30.57 34.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.109 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.563 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 8.1 ttt180 -91.21 -49.39 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.557 ' OE1' ' CD1' ' A' ' 43' ' ' PHE . 38.5 mt-30 -52.7 93.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.6 t -86.9 134.67 33.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.6 mt -125.31 137.64 54.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.9 mtt180 -146.42 145.22 30.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.3 mt -65.1 -16.74 63.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -156.76 151.33 20.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.565 0.698 . . . . 0.0 110.858 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.472 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 54.6 Cg_endo -69.67 -11.19 30.43 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.704 2.269 . . . . 0.0 112.382 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -125.98 23.85 7.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -102.66 -121.2 4.87 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -141.84 178.63 7.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.767 0.318 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.8 p -78.65 120.67 23.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.0 mt -61.63 159.0 14.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -125.94 149.07 49.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.48 -44.8 36.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -43.1 -25.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -73.74 144.95 45.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.6 t -129.0 155.64 41.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.4 mt -65.34 -9.12 21.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.943 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -112.62 -24.12 9.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -88.69 -29.65 19.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.521 ' C ' ' H ' ' A' ' 77' ' ' VAL . 0.4 OUTLIER -58.15 155.19 26.69 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.617 0.723 . . . . 0.0 110.912 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 25.08 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.521 ' H ' ' C ' ' A' ' 75' ' ' LEU . 4.9 t -120.1 170.37 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.093 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.4 ' H ' ' CG1' ' A' ' 77' ' ' VAL . . . -110.92 -162.97 18.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.6 p -40.64 -39.24 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.369 . . . . 0.0 111.121 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 37.8 m -95.48 91.92 6.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.405 ' HA ' ' CG1' ' A' ' 77' ' ' VAL . . . -93.57 147.99 22.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.038 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.3 m -129.01 128.2 43.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.8 mt -121.25 137.29 54.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.472 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 81.4 m-85 -100.85 138.95 37.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.57 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.7 OUTLIER -95.29 139.86 31.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.879 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.5 m80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.778 0.323 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.556 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -99.74 137.61 37.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -100.62 109.96 22.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 85.2 t -116.91 121.25 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -110.6 99.98 8.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.7 mt -76.89 101.02 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.165 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mt -100.04 170.4 8.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -86.82 156.92 19.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.81 -1.14 57.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.419 ' HE2' ' C ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -117.6 -70.01 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.9 p -87.83 -5.3 58.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 mtt85 42.67 49.55 4.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -100.38 131.22 46.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -51.02 105.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.2 mt -93.48 -35.24 13.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -157.58 144.92 18.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -132.05 105.15 7.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.7 mt -101.58 97.53 7.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -93.91 11.57 29.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -129.17 47.38 2.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.425 HG11 ' CD1' ' A' ' 72' ' ' LEU . 20.4 t -105.4 145.06 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -83.66 151.03 60.86 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.655 0.74 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.556 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.8 Cg_endo -69.79 -44.82 1.84 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.354 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -70.02 -9.22 54.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.59 129.05 39.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.8 p -92.23 159.7 15.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.443 ' CG2' ' HE2' ' A' ' 40' ' ' LYS . 42.5 mm -46.18 -41.9 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.14 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.3 -48.91 45.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.054 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -63.0 -52.64 62.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.3 mm -38.35 -46.53 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.443 ' HE2' ' CG2' ' A' ' 36' ' ' ILE . 3.4 mptp? -55.4 -53.54 54.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -47.14 -46.89 23.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.2 mt -52.4 -64.07 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.96 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.518 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 4.1 t80 -48.17 -34.94 10.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 m -66.87 -45.56 77.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.106 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -36.95 -63.41 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.87 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.7 m -59.37 -60.53 3.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.154 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -103.29 102.38 28.53 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.62 0.724 . . . . 0.0 110.861 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -44.95 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.714 2.276 . . . . 0.0 112.348 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -48.25 -37.67 16.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 13.8 m0 -78.72 103.53 8.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.455 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.6 OUTLIER -85.38 160.87 53.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.72 0.771 . . . . 0.0 110.913 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -26.26 27.68 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.25 -30.0 71.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.455 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 9.5 ttt85 -92.6 -59.58 2.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.518 ' OE1' ' CD1' ' A' ' 43' ' ' PHE . 32.6 mt-30 -45.17 115.08 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.5 t -110.46 140.36 44.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.415 ' C ' ' HG3' ' A' ' 58' ' ' ARG . 97.3 mt -124.2 138.84 54.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.415 ' HG3' ' C ' ' A' ' 57' ' ' LEU . 8.6 mtt-85 -144.65 137.13 26.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.7 mt -59.41 -22.93 62.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -152.03 153.76 31.74 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.627 0.727 . . . . 0.0 110.835 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.556 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.5 Cg_endo -69.82 -13.14 34.12 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.251 . . . . 0.0 112.368 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -126.36 32.73 5.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -114.87 -124.86 3.94 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -137.24 179.97 6.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.2 p -85.1 131.41 34.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.2 mt -72.56 162.6 29.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.957 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -129.79 160.86 32.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.38 -47.03 37.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -41.35 -37.85 1.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -63.41 143.05 58.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.0 t -131.96 156.0 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.425 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.3 mt -66.03 -13.97 60.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -110.16 -14.2 14.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -99.06 -28.26 13.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.523 ' C ' ' H ' ' A' ' 77' ' ' VAL . 0.4 OUTLIER -59.34 155.55 35.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.548 0.689 . . . . 0.0 110.967 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 25.28 0.17 Allowed 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.701 2.267 . . . . 0.0 112.389 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.523 ' H ' ' C ' ' A' ' 75' ' ' LEU . 6.7 t -120.07 169.55 11.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 79' ' ' THR . . . -109.86 -164.62 19.65 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.522 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 78' ' ' GLY . 17.7 p -35.87 -46.56 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 111.163 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 60.2 m -90.93 97.87 11.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.94 139.97 32.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.0 m -119.02 125.6 49.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.154 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.5 mt -121.05 134.37 55.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.556 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 93.0 m-85 -98.41 142.31 30.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.625 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.1 OUTLIER -99.33 142.38 30.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.951 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.8 m80 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.811 0.338 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -92.3 142.34 27.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -103.13 109.9 21.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.2 t -117.67 114.92 46.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -106.05 99.62 9.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.4 mt -76.08 98.03 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.9 mt -99.43 171.24 8.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -89.64 156.04 18.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.74 -0.79 57.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.1 tptt -120.29 -72.93 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.9 p -80.28 -11.66 59.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 48.46 30.81 2.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -83.41 132.6 34.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.62 118.87 3.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.3 mt -103.32 -40.44 6.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.4 t -158.6 146.75 18.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -130.23 102.93 6.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.1 mt -101.28 99.63 10.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -95.2 8.55 42.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.1 mttt -122.83 37.21 4.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.403 ' CG1' ' CD1' ' A' ' 72' ' ' LEU . 16.5 t -91.51 146.37 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.134 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -84.39 146.32 47.28 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.625 0.726 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.569 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.7 Cg_endo -69.82 -31.69 19.77 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.324 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -83.22 -13.26 55.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.02 131.07 49.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.4 p -89.63 160.05 16.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.407 ' CG2' ' HE2' ' A' ' 40' ' ' LYS . 47.0 mm -48.32 -42.22 11.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.91 -46.57 52.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.53 -46.29 83.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.9 mm -43.41 -46.77 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.407 ' HE2' ' CG2' ' A' ' 36' ' ' ILE . 3.1 mptp? -54.06 -52.53 60.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -48.61 -52.78 21.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.8 mt -44.57 -57.79 3.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -55.9 -48.19 76.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 45' ' ' LYS . 3.2 m -49.71 -41.57 43.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.171 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 44' ' ' THR . 38.2 mtmt -36.54 -66.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.4 m -58.11 -56.2 25.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 61.2 m-70 -106.55 98.68 21.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.569 0.7 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.8 Cg_endo -69.74 -41.79 3.99 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -50.91 -33.42 24.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 15.5 m0 -81.84 95.23 7.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.496 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 1.0 OUTLIER -74.44 160.3 81.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.662 0.744 . . . . 0.0 110.944 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -14.67 36.63 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.705 2.27 . . . . 0.0 112.347 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.94 -20.73 55.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.496 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 24.4 ttt180 -102.16 -41.05 6.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -66.69 99.81 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.8 t -96.7 147.43 23.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.8 mt -127.9 140.4 52.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 -144.95 138.46 26.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.4 mt -60.78 -24.54 65.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -147.77 150.94 37.65 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.614 0.721 . . . . 0.0 110.896 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.529 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.74 -11.45 30.89 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.729 2.286 . . . . 0.0 112.314 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.06 21.43 7.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -106.37 -138.16 8.98 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.503 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.1 mmmt -118.42 178.97 4.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.829 0.347 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.6 p -85.15 139.36 31.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.8 mt -79.6 162.6 25.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -131.22 153.24 49.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -44.78 -46.61 10.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -41.18 -37.56 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.59 145.9 54.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.4 t -131.72 151.97 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.403 ' CD1' ' CG1' ' A' ' 30' ' ' VAL . 15.1 mt -61.52 -10.1 7.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.954 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -111.97 -19.62 12.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -91.78 -30.25 16.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.524 ' C ' ' H ' ' A' ' 77' ' ' VAL . 0.4 OUTLIER -59.32 155.23 37.5 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.625 0.726 . . . . 0.0 110.928 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 25.07 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.524 ' H ' ' C ' ' A' ' 75' ' ' LEU . 5.7 t -119.82 170.13 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 79' ' ' THR . . . -112.2 -165.72 17.36 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.509 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 78' ' ' GLY . 71.1 p -34.45 -48.33 0.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.864 0.364 . . . . 0.0 111.135 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.1 m -89.41 95.46 10.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -98.23 148.2 23.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.6 m -126.15 126.39 44.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.145 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 28.7 mt -120.68 137.36 54.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.529 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 85.2 m-85 -103.08 140.57 37.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.559 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 1.2 t80 -97.61 145.27 26.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.442 ' N ' ' CD1' ' A' ' 85' ' ' PHE . 8.2 tpp180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.8 m80 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.78 0.324 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.5 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.3 m-85 -92.08 144.41 25.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -103.53 109.96 21.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 98.7 t -119.9 108.25 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.116 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -103.09 101.55 11.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 83.8 mt -73.94 99.43 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.4 mt -99.73 169.85 8.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.422 ' HB3' ' N ' ' A' ' 21' ' ' ARG . 20.5 t0 -85.7 157.45 20.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.68 -5.17 58.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.07 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -115.56 -75.34 0.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.433 HG22 ' CG ' ' A' ' 22' ' ' GLU . 9.8 t -82.49 -11.09 58.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.422 ' N ' ' HB3' ' A' ' 17' ' ' ASP . 2.1 mtm105 55.06 26.19 7.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.433 ' CG ' HG22 ' A' ' 20' ' ' THR . 18.8 mt-10 -68.77 131.63 45.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -55.61 109.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.0 mt -92.69 -48.21 6.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.84 154.15 39.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.924 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -134.93 102.78 5.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.6 mt -103.56 102.09 11.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -99.53 2.41 44.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -116.99 38.57 3.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.537 ' CG1' ' CD1' ' A' ' 72' ' ' LEU . 21.0 t -90.9 154.0 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -94.6 144.77 28.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.639 0.733 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.5 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 54.0 Cg_endo -69.84 -30.99 21.03 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.325 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -83.0 -16.44 47.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.27 131.07 49.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.0 p -86.42 164.93 16.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.407 ' CG1' ' HB2' ' A' ' 70' ' ' ASP . 43.2 mm -52.62 -38.16 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.48 -46.22 73.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.108 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.43 -41.94 98.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.0 mm -48.36 -47.52 14.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -53.52 -52.91 58.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -49.62 -48.0 49.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.6 mt -49.71 -52.58 30.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.502 ' CE1' ' OE1' ' A' ' 55' ' ' GLN . 3.9 t80 -60.0 -38.08 81.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 45' ' ' LYS . 2.3 m -62.4 -44.71 95.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 44' ' ' THR . 58.7 mttp -36.48 -67.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.489 HG22 ' CD2' ' A' ' 47' ' ' HIS . 32.9 m -58.84 -54.22 49.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.489 ' CD2' HG22 ' A' ' 46' ' ' THR . 16.4 m170 -108.86 96.75 21.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.598 0.713 . . . . 0.0 110.859 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -39.31 6.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.695 2.264 . . . . 0.0 112.352 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -52.9 -39.79 63.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -78.38 98.12 5.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -78.41 160.23 73.19 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.664 0.745 . . . . 0.0 110.895 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -28.64 24.88 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.332 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.65 -19.28 62.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.084 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.9 ttt-85 -104.39 -45.93 4.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.502 ' OE1' ' CE1' ' A' ' 43' ' ' PHE . 33.7 mt-30 -62.97 109.77 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.3 t -99.39 145.97 26.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.8 mt -133.0 134.38 44.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -147.09 146.83 30.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.6 mt -65.23 -25.91 67.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -145.36 152.03 49.03 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.617 0.722 . . . . 0.0 110.838 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.555 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.73 -13.25 34.47 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.318 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -125.67 27.24 6.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -103.51 -122.86 5.17 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.485 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -137.52 -176.15 4.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.33 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.1 p -86.25 121.63 29.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.0 mt -64.58 161.22 17.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -133.14 149.9 52.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 69' ' ' GLU . 3.9 p30 -42.69 -49.32 5.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 68' ' ' ASP . 10.1 pt-20 -35.9 -39.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.407 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 1.2 m-20 -61.81 149.84 38.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.2 t -133.11 153.34 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.537 ' CD1' ' CG1' ' A' ' 30' ' ' VAL . 13.1 mt -65.32 -11.77 45.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -111.53 -19.01 12.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.7 mmtt -94.05 -28.64 15.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.523 ' C ' ' H ' ' A' ' 77' ' ' VAL . 0.3 OUTLIER -58.66 155.06 32.0 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.642 0.734 . . . . 0.0 110.877 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 25.11 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.523 ' H ' ' C ' ' A' ' 75' ' ' LEU . 5.7 t -119.46 169.73 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.06 -164.5 19.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.462 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 36.1 p -40.77 -38.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 111.132 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 28.0 m -94.7 89.17 5.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.414 ' HA ' ' CG1' ' A' ' 77' ' ' VAL . . . -90.45 143.86 26.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.1 m -124.48 121.91 36.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 36.7 mt -114.98 132.25 56.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.555 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 72.0 m-85 -96.23 143.67 27.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.618 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.1 OUTLIER -105.82 142.09 36.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.844 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.94 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.436 ' CE1' ' HZ3' ' A' ' 29' ' ' LYS . 16.4 m80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.752 0.311 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.502 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -92.31 139.21 30.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -102.31 110.02 21.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 86.1 t -117.82 120.89 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -108.85 99.7 9.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.4 mt -74.99 104.0 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.0 mt -103.3 171.99 7.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -89.62 155.27 19.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.814 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.05 3.12 54.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -125.03 -64.92 1.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 64.9 p -88.06 -9.21 54.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.106 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 45.69 46.32 11.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -101.19 135.79 42.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -53.65 108.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.9 mt -93.2 -39.11 11.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t -160.1 141.47 12.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -123.81 106.2 10.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.0 mt -102.43 98.77 8.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -93.14 8.85 38.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.436 ' HZ3' ' CE1' ' A' ' 10' ' ' HIS . 13.9 mtpp -127.37 46.91 2.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.507 ' CG1' ' CD1' ' A' ' 72' ' ' LEU . 29.3 t -100.85 143.21 14.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -81.63 145.53 54.79 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.632 0.73 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.502 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.81 -32.7 17.85 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.634 2.223 . . . . 0.0 112.333 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -82.94 -7.72 59.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.37 128.68 36.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 77.5 p -85.35 155.96 21.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.422 ' CG1' ' HB2' ' A' ' 70' ' ' ASP . 48.9 mm -43.51 -40.61 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.06 -50.07 62.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -59.21 -39.14 81.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 46.3 mm -54.5 -49.62 64.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -54.85 -43.66 73.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -57.81 -55.02 40.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.2 mt -44.49 -59.52 2.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.483 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 4.4 t80 -50.7 -35.06 29.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 45' ' ' LYS . 16.7 m -63.34 -40.85 98.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 44' ' ' THR . 29.6 mtmt -34.4 -69.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.57 HG22 ' CD2' ' A' ' 47' ' ' HIS . 1.1 t -56.02 -47.2 78.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.57 ' CD2' HG22 ' A' ' 46' ' ' THR . 52.9 m170 -113.0 95.86 36.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.591 0.71 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.8 Cg_endo -69.75 -37.13 9.61 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -56.7 -33.19 66.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.401 ' CD1' ' N ' ' A' ' 50' ' ' TRP . 12.8 m0 -81.2 88.65 6.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -69.45 160.33 79.74 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.712 0.768 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -37.93 8.39 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.66 -23.84 1.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -102.43 -56.69 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.483 ' OE1' ' CD1' ' A' ' 43' ' ' PHE . 28.2 mt-30 -44.89 105.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 t -98.87 148.98 23.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.8 mt -131.71 143.11 50.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -152.23 141.45 21.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.5 mt -65.26 -15.91 63.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -158.06 153.33 21.89 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.607 0.718 . . . . 0.0 110.851 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.53 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 54.0 Cg_endo -69.73 -10.36 28.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.657 2.238 . . . . 0.0 112.386 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -126.23 19.41 7.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -97.96 -137.95 9.94 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.438 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.42 ' HD3' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -118.56 179.25 4.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.762 0.315 . . . . 0.0 110.887 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.5 p -85.69 103.44 14.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.809 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.3 mt -46.11 157.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -133.04 150.04 52.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 69' ' ' GLU . 2.0 p30 -40.16 -52.01 2.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.461 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 9.5 pt-20 -34.93 -39.62 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.422 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 0.9 OUTLIER -59.63 148.24 34.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -134.34 152.48 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.183 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.507 ' CD1' ' CG1' ' A' ' 30' ' ' VAL . 14.0 mt -65.02 -12.37 49.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -111.01 -16.59 13.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt -96.52 -28.37 14.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.523 ' C ' ' H ' ' A' ' 77' ' ' VAL . 0.4 OUTLIER -59.22 155.17 36.81 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.66 0.743 . . . . 0.0 110.874 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 24.97 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.669 2.246 . . . . 0.0 112.332 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.523 ' H ' ' C ' ' A' ' 75' ' ' LEU . 3.8 t -119.73 170.95 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -112.28 -162.75 16.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.5 p -39.4 -36.52 0.37 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.848 0.356 . . . . 0.0 111.144 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.0 m -98.28 94.79 6.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.162 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.75 143.09 28.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.3 m -121.71 122.03 38.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 50.6 mt -117.0 137.2 52.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.53 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 83.5 m-85 -103.47 136.33 43.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -95.96 141.41 29.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.906 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.3 m80 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.817 0.342 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.506 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -90.33 138.32 31.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -100.01 110.12 22.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.8 t -118.75 116.88 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.084 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -110.0 100.03 9.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.1 mt -73.36 99.83 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.9 mt -98.7 170.68 8.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -88.82 155.4 19.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.1 -1.44 57.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -118.47 -67.15 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.9 p -88.15 -10.09 51.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.0 mtm-85 47.49 47.29 17.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -99.49 137.25 38.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -57.24 107.79 0.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.5 mt -93.12 -37.66 12.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -158.56 140.52 13.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -124.06 109.98 14.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.1 mt -109.63 101.17 10.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -97.43 9.75 41.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.797 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -124.96 40.7 3.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.8 t -96.5 145.69 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -84.96 149.18 52.69 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.662 0.744 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.506 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.8 Cg_endo -69.76 -37.67 8.84 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -77.3 -5.89 51.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.819 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.88 129.01 38.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.2 p -92.05 156.01 17.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.117 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.4 mm -41.36 -44.42 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.88 -52.05 15.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -61.31 -45.06 96.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.2 mm -47.1 -48.93 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -48.51 70.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -51.84 -53.55 39.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.6 mt -45.65 -61.33 1.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -50.16 -37.02 32.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 45' ' ' LYS . 1.9 m -58.82 -43.68 90.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.154 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 44' ' ' THR . 26.9 mttm -36.6 -67.8 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.6 m -59.17 -59.01 6.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.145 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -102.51 96.66 7.66 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.617 0.722 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -39.7 6.28 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -50.95 -28.04 8.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -87.67 116.24 25.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.456 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -98.45 160.77 27.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.678 0.751 . . . . 0.0 110.924 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -28.21 25.84 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.382 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.1 -34.59 78.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.456 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 9.2 ttm180 -90.42 -53.02 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -50.02 114.33 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 t -107.5 139.1 42.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 68.9 mt -122.78 142.65 50.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -149.55 138.19 20.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.4 mt -62.49 -25.4 67.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.87 150.29 49.24 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.614 0.721 . . . . 0.0 110.843 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.56 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.9 Cg_endo -69.77 -11.62 31.2 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 pttm -125.85 23.0 7.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -100.22 -119.78 4.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -142.48 -179.19 6.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.782 0.325 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.9 p -78.96 129.66 34.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.8 mt -74.05 160.62 31.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -131.93 151.53 51.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 70' ' ' ASP . 2.0 m-20 -46.28 -48.05 18.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -38.96 -27.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 68' ' ' ASP . 1.8 m-20 -72.85 145.01 47.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.0 t -129.48 152.23 36.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.4 mt -64.34 -11.47 32.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -111.47 -17.36 13.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -95.19 -29.45 14.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.526 ' C ' ' H ' ' A' ' 77' ' ' VAL . 0.4 OUTLIER -58.82 155.43 31.28 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.649 0.738 . . . . 0.0 110.907 179.886 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 25.76 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.244 . . . . 0.0 112.395 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.526 ' H ' ' C ' ' A' ' 75' ' ' LEU . 21.3 t -121.14 167.61 14.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.418 ' N ' ' CG1' ' A' ' 77' ' ' VAL . . . -107.54 -161.68 21.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 47.3 p -40.12 -45.36 1.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.361 . . . . 0.0 111.142 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 35.2 m -86.48 92.74 8.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -91.85 139.55 30.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.07 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.3 m -123.92 117.93 25.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.181 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.1 mt -114.1 140.66 48.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.56 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 75.0 m-85 -105.58 138.56 41.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.585 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -100.17 138.48 37.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.922 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.7 m80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.842 0.353 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 2.9 m-85 -101.41 142.94 32.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -102.78 109.95 21.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 98.5 t -119.12 124.56 73.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -113.82 100.28 8.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.0 mt -74.78 99.23 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.0 mt -97.97 169.88 9.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.938 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -88.13 157.32 18.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.0 -4.76 58.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -114.29 -74.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.0 p -79.92 -12.07 59.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.5 mtm105 47.99 52.35 13.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -105.89 137.99 42.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -55.72 104.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.7 mt -92.24 -29.77 16.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.931 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -163.69 143.27 8.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -129.71 102.98 6.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.1 mt -99.93 103.31 14.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -98.48 6.67 47.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -121.25 39.87 3.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.502 ' CG1' ' CD1' ' A' ' 72' ' ' LEU . 14.2 t -96.61 143.3 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.112 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -83.08 148.31 56.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.563 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.7 Cg_endo -69.77 -29.68 23.45 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.718 2.279 . . . . 0.0 112.377 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -86.18 -9.4 56.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.31 135.73 57.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.5 p -93.23 159.36 15.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.465 ' CG2' ' HE3' ' A' ' 40' ' ' LYS . 45.4 mm -46.34 -42.9 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.23 -53.57 16.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -58.29 -40.9 83.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.8 mm -52.87 -55.49 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.465 ' HE3' ' CG2' ' A' ' 36' ' ' ILE . 41.3 mttt -49.43 -47.1 48.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -52.12 -51.82 55.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.4 mt -46.68 -62.55 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.433 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 5.6 t80 -48.15 -30.53 4.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.4 m -69.79 -40.65 75.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -38.66 -61.02 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.1 m -61.31 -60.14 4.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.189 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -100.8 99.06 9.38 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.61 0.719 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -42.0 3.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.758 2.305 . . . . 0.0 112.349 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -50.46 -33.94 22.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.405 ' CE3' ' CE1' ' A' ' 43' ' ' PHE . 18.1 m0 -81.96 115.56 21.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.472 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -97.44 159.6 30.77 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.672 0.748 . . . . 0.0 110.909 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -28.78 24.46 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.63 2.22 . . . . 0.0 112.35 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.42 -30.84 71.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.089 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.472 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 7.2 ttm180 -90.6 -42.83 10.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -64.54 139.64 58.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.9 t -130.73 126.64 36.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.4 mt -105.6 138.13 42.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.951 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -146.02 136.67 24.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.7 mt -62.46 -22.2 66.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -147.62 150.74 37.58 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.572 0.701 . . . . 0.0 110.895 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.546 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.8 Cg_endo -69.74 -11.48 30.95 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.01 18.86 8.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -97.99 -125.89 5.33 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -137.29 -176.87 4.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.808 0.337 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.4 p -80.11 137.25 36.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.0 mt -80.95 161.46 24.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -133.4 150.52 51.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 70' ' ' ASP . 0.9 OUTLIER -44.08 -50.26 8.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' ASP . 8.4 pt-20 -34.88 -34.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' ASP . 42.9 m-20 -67.8 143.95 55.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.2 t -129.93 153.22 38.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.502 ' CD1' ' CG1' ' A' ' 30' ' ' VAL . 17.6 mt -63.89 -12.2 34.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -111.02 -15.4 13.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -97.2 -29.04 13.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.524 ' C ' ' H ' ' A' ' 77' ' ' VAL . 0.4 OUTLIER -59.67 155.48 39.68 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.619 0.723 . . . . 0.0 110.917 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 25.34 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.342 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.524 ' H ' ' C ' ' A' ' 75' ' ' LEU . 3.7 t -120.67 170.81 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 79' ' ' THR . . . -110.51 -165.43 19.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 78' ' ' GLY . 36.3 p -34.77 -51.36 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 111.138 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.2 m -88.14 98.77 11.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -98.93 151.51 20.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.093 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.4 m -127.53 129.34 47.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.158 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 32.2 mt -122.25 141.96 50.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.546 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 73.7 m-85 -107.07 134.97 49.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.509 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -97.75 145.34 26.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.912 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.427 ' CG ' ' HA ' ' A' ' 29' ' ' LYS . 12.3 m80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.816 0.341 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.538 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.5 m-85 -97.91 144.23 27.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -103.42 109.86 21.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.5 t -119.46 116.52 51.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -109.72 101.5 10.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.5 mt -74.92 98.49 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.8 mt -97.77 167.59 10.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -85.74 157.53 20.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.29 -2.24 57.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.9 ttmt -119.42 -66.16 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.9 p -87.82 -3.94 58.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 mtm-85 42.33 33.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -84.2 139.83 32.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -60.59 109.55 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.0 mt -91.68 -44.08 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.8 t -153.75 153.97 33.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -135.37 107.14 7.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.3 mt -107.69 106.02 16.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -100.44 2.3 42.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.427 ' HA ' ' CG ' ' A' ' 10' ' ' HIS . 1.7 mppt? -118.48 40.87 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.2 t -95.66 147.07 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -85.54 147.35 46.43 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.668 0.747 . . . . 0.0 110.842 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.538 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.8 -30.76 21.59 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.734 2.289 . . . . 0.0 112.315 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -83.12 -8.41 59.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.42 127.27 30.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.5 p -89.09 153.39 21.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.424 ' CG2' ' HE3' ' A' ' 40' ' ' LYS . 45.7 mm -42.9 -38.27 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.48 -44.79 72.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.11 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -69.4 -41.85 75.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 45.0 mm -50.24 -43.22 21.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.424 ' HE3' ' CG2' ' A' ' 36' ' ' ILE . 2.1 mptm? -57.59 -46.37 84.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -53.87 -54.94 31.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.4 mt -43.13 -49.22 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.503 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 5.4 t80 -63.31 -40.89 98.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.4 m -62.83 -37.26 86.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.206 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -39.05 -65.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.4 m -61.01 -56.44 21.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 10.2 m170 -103.06 95.84 7.18 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.572 0.701 . . . . 0.0 110.832 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 54.2 Cg_endo -69.76 -38.35 7.91 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.642 2.228 . . . . 0.0 112.368 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -56.93 -32.08 65.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 17.9 m0 -83.93 93.0 7.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -73.64 159.78 83.71 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.674 0.75 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -39.67 6.11 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.285 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -45.95 -23.45 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.8 ttt85 -103.27 -37.46 7.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.503 ' OE1' ' CD1' ' A' ' 43' ' ' PHE . 32.0 mt-30 -64.56 79.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 m -81.1 117.48 21.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.1 mt -102.2 144.65 30.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -149.94 140.27 22.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.442 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 6.7 mt -59.23 -10.69 3.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.49 ' HA ' ' CD2' ' A' ' 84' ' ' TYR . 8.1 m-20 -169.26 151.25 4.54 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.576 0.703 . . . . 0.0 110.901 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.565 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.4 Cg_endo -69.75 -4.35 13.84 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.327 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -127.96 24.49 6.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -114.81 -136.94 6.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.446 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.4 ' HD3' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -122.64 154.75 37.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 110.895 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.3 p -63.72 119.49 10.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.6 mt -59.16 159.91 6.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -129.2 157.78 40.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -48.6 -48.22 39.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -40.0 -36.48 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -63.53 148.57 48.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.7 t -133.85 152.02 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.5 mt -63.74 -9.3 13.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -112.44 -22.94 10.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -89.82 -29.39 18.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.522 ' C ' ' H ' ' A' ' 77' ' ' VAL . 0.3 OUTLIER -59.13 154.86 37.72 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.611 0.719 . . . . 0.0 110.896 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 24.8 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.723 2.282 . . . . 0.0 112.321 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.522 ' H ' ' C ' ' A' ' 75' ' ' LEU . 5.8 t -118.65 169.87 8.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 79' ' ' THR . . . -109.01 -166.65 20.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 78' ' ' GLY . 20.3 p -36.32 -42.8 0.34 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.864 0.364 . . . . 0.0 111.155 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 63.5 m -94.2 98.14 10.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.95 152.36 19.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.0 m -130.98 126.4 35.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 46.9 mt -115.01 150.24 36.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 65.8 m-85 -117.26 133.24 56.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.521 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 2.4 t80 -94.42 131.1 40.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.917 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.471 ' CG ' ' HA ' ' A' ' 29' ' ' LYS . 12.3 m80 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.844 0.354 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.538 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 4.5 m-85 -97.83 136.56 37.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -100.03 109.93 22.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.5 t -116.14 116.17 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -102.49 95.99 6.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.2 mt -75.17 98.57 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.127 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.8 mt -97.95 168.76 10.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -83.77 157.19 22.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 85' ' ' PHE . . . -89.49 -1.12 57.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.3 tptp -122.54 -63.51 1.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.3 p -87.3 -7.1 58.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.9 mtt85 42.24 51.18 4.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -106.25 142.29 36.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.85 101.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.5 mt -89.14 -35.27 16.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.8 t -156.24 141.58 17.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -128.49 100.71 5.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.2 mt -99.95 100.36 11.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -97.24 13.48 29.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.471 ' HA ' ' CG ' ' A' ' 10' ' ' HIS . 3.1 mppt? -130.44 38.78 3.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.7 t -93.64 150.33 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -88.34 147.96 41.34 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.665 0.745 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.538 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.7 -34.8 14.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.718 2.279 . . . . 0.0 112.341 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -79.05 -6.84 57.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.08 132.28 48.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.9 p -93.47 151.52 19.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.161 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.3 mm -38.99 -37.7 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.102 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.4 -46.76 76.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -62.87 -45.48 92.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.5 mm -47.48 -47.54 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -58.01 -44.44 87.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -53.89 -51.34 64.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.421 HD23 ' NZ ' ' A' ' 45' ' ' LYS . 10.2 mt -51.07 -55.11 19.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.949 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.601 ' CE1' ' OE1' ' A' ' 55' ' ' GLN . 8.3 t80 -51.27 -29.03 13.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.93 -43.28 45.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.172 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.421 ' NZ ' HD23 ' A' ' 42' ' ' LEU . 20.6 mtmm -38.01 -53.98 1.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.6 m -70.8 -54.24 12.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -105.51 95.95 11.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.631 0.729 . . . . 0.0 110.865 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -33.24 16.99 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.686 2.257 . . . . 0.0 112.324 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -61.77 -31.28 71.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 14.5 m0 -85.78 113.41 21.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.568 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.5 OUTLIER -91.27 160.58 36.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.681 0.753 . . . . 0.0 110.928 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -28.38 25.17 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.08 -26.06 67.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.568 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 26.0 ttt180 -91.24 -54.36 3.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.601 ' OE1' ' CE1' ' A' ' 43' ' ' PHE . 36.4 mt-30 -59.54 116.88 4.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 t -115.19 108.95 17.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 22.6 mt -86.75 142.39 28.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -150.62 138.76 20.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.446 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 8.5 mt -57.53 -11.99 2.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.446 ' CG ' ' O ' ' A' ' 59' ' ' LEU . 9.7 m-20 -166.78 149.59 6.05 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.584 0.707 . . . . 0.0 110.876 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.555 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.75 -3.94 13.01 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.8 pttt -126.76 26.52 6.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -116.24 -125.73 3.83 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.546 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -141.08 154.57 46.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.802 0.335 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 84.2 p -58.13 129.87 43.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.4 mt -70.52 159.2 34.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -120.46 150.1 41.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 69' ' ' GLU . 5.3 p-10 -42.3 -50.18 5.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.846 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 68' ' ' ASP . 23.8 pt-20 -35.33 -41.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -62.21 146.13 51.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.464 HG23 ' CE ' ' A' ' 74' ' ' LYS . 9.8 t -132.48 154.86 40.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.454 ' N ' HG13 ' A' ' 71' ' ' VAL . 15.2 mt -66.69 -6.75 16.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -113.6 -20.02 11.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.464 ' CE ' HG23 ' A' ' 71' ' ' VAL . 16.7 mtmt -97.28 -26.46 14.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.521 ' C ' ' H ' ' A' ' 77' ' ' VAL . 0.4 OUTLIER -58.67 155.24 31.06 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.583 0.706 . . . . 0.0 110.923 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 25.35 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.643 2.229 . . . . 0.0 112.295 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.521 ' H ' ' C ' ' A' ' 75' ' ' LEU . 5.3 t -120.22 170.21 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.402 ' H ' ' CG1' ' A' ' 77' ' ' VAL . . . -109.35 -163.9 20.03 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.2 p -38.35 -42.14 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.359 . . . . 0.0 111.128 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.1 m -95.04 98.96 11.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.79 151.07 20.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 65.4 m -129.24 130.02 45.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 21.4 mt -121.48 147.66 45.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.555 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 72.2 m-85 -115.14 131.4 56.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.615 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.1 OUTLIER -95.15 152.48 18.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.883 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.472 ' N ' ' CD1' ' A' ' 85' ' ' PHE . 8.0 tpt180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.1 m80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.813 0.339 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.544 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 4.0 m-85 -87.56 137.63 32.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -99.58 110.34 22.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.3 t -120.0 116.31 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.095 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.7 pm0 -107.61 102.59 11.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.5 mt -76.22 105.81 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.3 mt -107.15 174.4 5.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -90.81 157.54 17.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.44 0.37 56.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -120.01 -69.12 0.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.459 ' CG2' ' HG2' ' A' ' 22' ' ' GLU . 5.1 t -90.03 -2.81 58.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.138 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.8 mtt85 44.06 25.71 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.459 ' HG2' ' CG2' ' A' ' 20' ' ' THR . 13.0 pt-20 -71.0 131.41 43.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -53.34 115.67 2.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.0 mt -99.39 -46.33 5.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.0 t -153.31 150.92 29.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -132.54 108.03 8.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.7 mt -108.27 100.89 10.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.4 p30 -98.26 15.2 25.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -130.38 42.22 3.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.8 t -97.96 150.02 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -88.4 148.57 42.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.595 0.712 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.544 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.7 Cg_endo -69.78 -39.78 6.08 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.339 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -75.44 -6.63 51.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.75 132.09 48.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.0 p -93.57 157.63 16.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.428 ' CG2' ' HE3' ' A' ' 40' ' ' LYS . 27.6 mm -44.57 -41.17 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.1 -47.72 61.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.6 -50.48 69.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.4 mm -42.49 -49.05 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.428 ' HE3' ' CG2' ' A' ' 36' ' ' ILE . 1.9 mptm? -53.28 -45.41 68.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -57.79 -53.11 61.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.2 mt -44.83 -48.82 11.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -62.09 -42.58 99.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 45' ' ' LYS . 3.3 m -56.84 -41.87 78.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 44' ' ' THR . 30.8 mtpt -34.9 -66.3 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 40.8 m -62.97 -52.19 63.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -108.03 93.66 11.35 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.538 0.685 . . . . 0.0 110.836 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -41.45 4.24 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.718 2.279 . . . . 0.0 112.34 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -49.35 -33.12 12.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 15.2 m0 -84.83 99.06 10.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -77.99 160.38 73.95 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.65 0.738 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -30.33 22.49 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.269 . . . . 0.0 112.348 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.36 -24.21 59.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -100.56 -58.27 1.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -46.04 106.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 t -103.16 137.92 40.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.405 ' C ' ' HG3' ' A' ' 58' ' ' ARG . 82.3 mt -120.54 144.28 48.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.405 ' HG3' ' C ' ' A' ' 57' ' ' LEU . 5.4 mtt-85 -144.91 138.66 27.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.3 mt -63.09 -18.2 63.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -154.76 152.96 26.86 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.618 0.723 . . . . 0.0 110.87 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.544 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 54.0 Cg_endo -69.75 -15.47 37.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 0.0 112.346 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -123.72 31.36 5.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -113.69 -122.54 3.84 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.481 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -142.14 179.96 6.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.77 0.319 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.7 p -78.61 139.82 38.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.7 mt -82.64 159.13 22.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -128.1 152.47 47.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.945 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -42.87 -49.87 5.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.833 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 68' ' ' ASP . 11.8 pt-20 -36.31 -35.49 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -66.58 144.32 56.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.8 t -132.65 151.3 34.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.6 -12.32 22.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.951 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -110.92 -12.65 14.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.1 mmtt -99.82 -29.04 12.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.959 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.526 ' C ' ' H ' ' A' ' 77' ' ' VAL . 0.4 OUTLIER -60.24 155.34 46.87 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.606 0.717 . . . . 0.0 110.916 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 25.31 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.649 2.233 . . . . 0.0 112.325 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.526 ' H ' ' C ' ' A' ' 75' ' ' LEU . 4.4 t -120.87 170.74 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -111.57 -161.42 16.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.472 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.9 p -41.31 -41.79 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.921 0.391 . . . . 0.0 111.161 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.3 m -94.08 91.17 6.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.427 ' HA ' ' CG1' ' A' ' 77' ' ' VAL . . . -94.41 150.11 20.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.5 m -127.42 121.45 30.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.16 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 17.8 mt -117.19 135.68 53.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.544 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 96.8 m-85 -101.82 141.4 34.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.554 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.6 OUTLIER -95.72 134.25 38.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.908 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.601 ' CD2' ' O ' ' A' ' 30' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.762 0.315 . . . . 0.0 110.854 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.525 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 6.8 m-85 -59.92 131.11 49.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 18.3 mp0 -97.22 109.95 22.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.429 ' CG2' HG21 ' A' ' 30' ' ' VAL . 46.9 t -117.44 111.62 35.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.142 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -112.22 109.54 19.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 98.1 mt -82.71 98.02 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.1 mt -94.29 167.52 11.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -84.54 153.09 23.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.79 6.59 43.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -127.71 -56.79 1.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.5 p -95.56 -11.3 27.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 48.21 49.54 17.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -107.06 139.99 40.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -57.72 109.74 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.4 mt -98.24 -37.06 9.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.8 t -152.31 128.51 10.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -116.29 110.97 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.7 mt -111.96 99.8 8.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -89.84 8.89 29.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -133.06 62.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.601 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 7.4 t -106.57 146.31 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -83.12 142.42 44.22 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.62 0.724 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.525 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.79 -30.08 22.72 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.667 2.244 . . . . 0.0 112.376 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -87.45 -7.53 57.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.95 126.66 29.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.091 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.9 p -86.81 164.51 16.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.101 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.425 ' CG2' ' HE3' ' A' ' 40' ' ' LYS . 26.8 mm -48.96 -39.57 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.96 -44.64 70.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -67.99 -44.11 77.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.3 mm -47.75 -51.77 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.425 ' HE3' ' CG2' ' A' ' 36' ' ' ILE . 2.0 mptm? -51.08 -47.36 61.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -54.69 -57.76 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.2 mt -40.4 -39.76 1.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.565 ' CE1' ' OE1' ' A' ' 55' ' ' GLN . 4.9 t80 -70.96 -52.45 19.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 45' ' ' LYS . 6.8 m -45.67 -40.9 9.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.125 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 44' ' ' THR . 22.8 mtmt -34.99 -67.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.565 HG23 ' CD2' ' A' ' 47' ' ' HIS . 1.1 t -58.49 -47.21 84.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.13 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.565 ' CD2' HG23 ' A' ' 46' ' ' THR . 61.0 m170 -114.48 94.55 36.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.531 0.682 . . . . 0.0 110.833 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -27.75 26.0 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 -67.66 -27.0 66.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -87.47 85.66 7.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -64.95 159.91 60.16 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.699 0.761 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -40.24 5.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -45.85 -27.86 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.8 ttt85 -98.51 -55.6 2.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.565 ' OE1' ' CE1' ' A' ' 43' ' ' PHE . 31.5 mt-30 -49.92 94.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 m -90.74 141.15 29.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 80.7 mt -124.92 141.55 52.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -146.46 161.11 41.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.448 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 4.9 mt -79.19 -6.85 57.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 59' ' ' LEU . 8.4 m-20 -173.39 147.73 1.46 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.568 0.699 . . . . 0.0 110.89 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.556 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.8 Cg_endo -69.73 -3.74 12.59 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.71 2.273 . . . . 0.0 112.372 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -124.8 22.13 8.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -114.96 -142.13 7.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.77 145.36 49.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.733 0.301 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 90.1 p -44.96 141.34 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.432 HD22 ' CG ' ' A' ' 59' ' ' LEU . 10.5 mt -81.32 160.48 24.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -116.46 153.96 31.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.43 -32.67 65.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.831 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -55.46 -21.89 18.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.426 ' OD2' ' CD2' ' A' ' 66' ' ' LEU . 65.1 m-20 -70.93 156.76 39.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 72' ' ' LEU . 7.5 t -145.15 156.44 13.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.461 HD12 ' CG1' ' A' ' 30' ' ' VAL . 10.6 mt -68.21 -10.41 54.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -109.86 -11.36 14.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -107.16 -25.16 11.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.521 ' C ' ' H ' ' A' ' 77' ' ' VAL . 0.3 OUTLIER -62.46 154.39 72.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.72 . . . . 0.0 110.904 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 24.98 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.521 ' H ' ' C ' ' A' ' 75' ' ' LEU . 5.1 t -118.33 170.04 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.176 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 79' ' ' THR . . . -108.15 -167.32 21.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.449 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 78' ' ' GLY . 13.1 p -34.06 -42.47 0.13 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.897 0.38 . . . . 0.0 111.155 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.6 m -96.01 105.48 17.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.12 146.56 24.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 50.3 m -127.04 115.08 18.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 88.8 mt -108.19 154.99 20.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.556 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 64.5 m-85 -118.56 137.38 53.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 1.5 t80 -94.67 130.08 41.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.905 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.9 m80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.79 0.329 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.556 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -92.87 138.16 31.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -100.43 110.05 22.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.1 t -117.82 120.06 63.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -109.15 104.86 14.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.9 mt -78.92 98.34 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.9 mt -97.77 169.54 9.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -86.98 153.72 21.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.99 6.7 41.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -125.64 -62.3 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.5 p -93.64 -6.28 46.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.8 mtm-85 44.74 47.59 8.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.823 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -100.76 142.29 32.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.72 111.13 2.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.3 mt -97.72 -33.83 11.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.0 t -160.74 144.56 13.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -127.67 107.78 10.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.3 mt -104.57 96.15 6.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -97.0 20.82 10.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -133.63 34.43 3.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.1 t -93.48 146.13 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -85.06 152.41 58.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.671 0.748 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.556 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 54.2 Cg_endo -69.69 -38.34 8.09 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.714 2.276 . . . . 0.0 112.366 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.1 p-80 -78.45 -8.11 58.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.79 128.55 36.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 36' ' ' ILE . 72.5 p -91.64 148.26 22.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.206 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 35' ' ' THR . 29.5 mm -35.43 -42.14 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.135 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.81 -52.26 19.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -62.95 -34.16 76.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 33.0 mm -55.64 -61.86 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.427 ' NZ ' HG23 ' A' ' 36' ' ' ILE . 4.3 mppt? -44.64 -46.55 10.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -54.56 -54.94 34.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.5 mt -46.12 -45.12 16.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 4.7 t80 -66.68 -32.35 73.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 45' ' ' LYS . 18.1 m -67.33 -41.24 85.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 44' ' ' THR . 35.7 mtmt -35.07 -69.15 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.533 HG21 ' CE1' ' A' ' 47' ' ' HIS . 48.2 m -54.22 -53.45 53.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.533 ' CE1' HG21 ' A' ' 46' ' ' THR . 24.8 m-70 -109.51 96.65 23.74 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.594 0.712 . . . . 0.0 110.878 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 54.1 Cg_endo -69.73 -38.97 7.13 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.71 2.274 . . . . 0.0 112.347 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -53.62 -33.29 54.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -83.72 110.5 18.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.513 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -92.17 161.93 31.71 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.72 0.771 . . . . 0.0 110.896 -179.861 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -26.24 27.66 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.99 -14.13 5.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.513 ' HD2' ' CZ ' ' A' ' 51' ' ' TYR . 37.6 mtt180 -106.93 -62.32 1.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' ARG . 70.5 mt-30 -38.15 109.19 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.8 t -102.52 104.08 14.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.414 ' C ' ' HG3' ' A' ' 58' ' ' ARG . 84.0 mt -88.84 141.23 28.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.414 ' HG3' ' C ' ' A' ' 57' ' ' LEU . 4.4 mtt180 -152.77 129.43 10.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.8 mt -55.05 -20.02 8.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -148.67 151.36 35.53 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.658 0.742 . . . . 0.0 110.857 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.547 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 54.2 Cg_endo -69.78 -12.2 32.37 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.404 ' HD3' ' C ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -124.59 21.67 8.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -102.21 -130.65 7.08 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.503 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -133.94 178.13 7.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.753 0.311 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.9 p -76.16 136.55 39.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.4 mt -81.56 159.53 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -122.38 160.54 25.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -53.92 -44.65 70.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -41.42 -31.39 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -66.88 143.31 56.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.0 t -128.25 151.74 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.5 mt -64.07 -10.16 20.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -112.38 -22.12 11.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -90.12 -29.8 18.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.521 ' C ' ' H ' ' A' ' 77' ' ' VAL . 0.4 OUTLIER -58.62 155.23 30.66 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.609 0.719 . . . . 0.0 110.947 179.888 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 25.46 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.697 2.264 . . . . 0.0 112.287 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.521 ' H ' ' C ' ' A' ' 75' ' ' LEU . 8.1 t -120.07 169.39 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 79' ' ' THR . . . -109.25 -167.1 20.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.509 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 78' ' ' GLY . 17.4 p -35.15 -47.92 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 111.13 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.2 m -89.33 95.68 10.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.43 147.75 23.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.058 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.9 m -126.61 130.32 50.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 63.0 mt -123.46 143.61 50.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.547 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 87.4 m-85 -109.58 133.69 52.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.566 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.6 OUTLIER -99.62 139.81 34.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.5 tpp85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 -179.934 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.3 m80 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.806 0.336 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.538 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 4.3 m-85 -94.11 143.53 26.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -105.49 110.06 22.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 74.2 t -117.08 105.69 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -98.23 102.55 14.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.7 mt -78.02 98.5 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.17 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.2 mt -100.07 171.47 7.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 18' ' ' ALA . 19.5 t0 -88.04 157.35 18.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.817 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.434 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . -87.11 -0.52 56.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.079 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -118.56 -75.35 0.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.952 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.471 HG22 ' CG ' ' A' ' 22' ' ' GLU . 9.0 t -78.82 -18.77 53.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.198 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.0 mtm180 60.32 28.97 18.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.471 ' CG ' HG22 ' A' ' 20' ' ' THR . 71.2 mt-10 -75.26 139.89 42.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -63.72 107.03 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.8 mt -92.26 -43.24 9.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t -151.42 145.53 25.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -132.89 99.23 4.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.7 mt -97.89 105.02 17.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.97 8.73 43.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -125.96 46.14 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.448 ' CG1' ' CD1' ' A' ' 72' ' ' LEU . 60.8 t -102.06 148.35 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -85.36 146.68 45.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.637 0.732 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.538 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.75 -34.84 13.81 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.645 2.23 . . . . 0.0 112.35 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.458 ' HA ' ' NE2' ' A' ' 73' ' ' GLN . 12.7 p-80 -82.3 1.11 38.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.67 131.28 42.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.6 p -89.8 155.1 19.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.191 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.0 mm -44.51 -41.07 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.11 -45.63 53.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -65.66 -47.08 76.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 38.4 mm -46.51 -49.68 5.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.98 -47.47 61.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -54.36 -56.57 17.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.7 mt -41.13 -56.97 2.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -54.81 -39.48 68.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.2 m -63.32 -39.42 94.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -37.28 -65.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.6 m -59.1 -60.94 3.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.186 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 36.8 m80 -102.44 96.9 7.89 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.606 0.717 . . . . 0.0 110.845 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.6 Cg_endo -69.8 -39.06 6.88 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.343 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -51.15 -30.77 17.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.4 ' N ' ' CD1' ' A' ' 50' ' ' TRP . 15.7 m0 -87.28 110.18 20.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.5 OUTLIER -88.47 161.19 43.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.681 0.753 . . . . 0.0 110.904 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -29.35 24.05 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.89 -25.44 65.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.571 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 25.5 ttt180 -93.25 -64.25 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -42.15 110.19 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.2 t -101.73 121.36 41.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 92.8 mt -105.92 148.42 27.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -156.69 135.85 12.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.7 mt -59.6 -15.6 19.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -158.07 150.63 17.93 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.604 0.716 . . . . 0.0 110.847 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.543 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.5 Cg_endo -69.8 -9.57 26.41 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.333 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -129.42 30.6 4.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -116.05 -122.27 3.43 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -138.17 174.35 10.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.5 t -79.39 141.05 37.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.0 mt -80.98 158.33 25.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -125.39 159.59 31.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -51.79 -38.74 56.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -47.33 -36.53 9.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.72 151.11 47.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.452 ' CG2' ' HE2' ' A' ' 74' ' ' LYS . 5.8 t -137.96 155.54 30.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.448 ' CD1' ' CG1' ' A' ' 30' ' ' VAL . 16.2 mt -67.33 -8.5 32.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.458 ' NE2' ' HA ' ' A' ' 33' ' ' HIS . 18.4 pt20 -113.31 -14.11 12.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.452 ' HE2' ' CG2' ' A' ' 71' ' ' VAL . 30.2 mtmt -103.45 -25.56 13.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.526 ' C ' ' H ' ' A' ' 77' ' ' VAL . 0.3 OUTLIER -59.94 154.84 46.63 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.606 0.717 . . . . 0.0 110.911 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 24.94 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.665 2.244 . . . . 0.0 112.339 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.526 ' H ' ' C ' ' A' ' 75' ' ' LEU . 6.1 t -118.88 169.86 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 79' ' ' THR . . . -110.54 -166.31 19.22 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 78' ' ' GLY . 6.6 p -36.03 -43.38 0.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 111.164 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 28.3 m -92.48 97.08 10.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.1 145.45 25.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.2 m -130.17 129.33 43.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 21.0 mt -121.64 138.58 54.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.543 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 90.6 m-85 -101.37 139.28 37.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 1.5 t80 -98.99 129.68 45.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.882 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.9 m80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.873 0.368 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.8 m-85 -91.78 146.59 23.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -106.44 110.05 22.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.43 ' CG1' HD11 ' A' ' 83' ' ' LEU . 95.9 t -119.44 113.03 39.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -106.63 103.26 12.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 92.6 mt -78.19 99.04 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.0 mt -98.33 169.52 9.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -83.64 157.29 22.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.17 -4.97 58.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.065 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -115.57 -72.65 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.2 p -78.87 -13.87 59.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 49.85 51.44 16.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -105.06 144.89 31.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -60.9 108.39 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.6 mt -96.4 -39.9 9.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t -153.5 137.79 16.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -124.2 108.88 12.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.7 mt -108.73 93.93 4.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -90.41 10.5 24.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -125.88 41.72 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.4 t -96.86 147.43 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -85.44 149.19 51.37 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.665 0.745 . . . . 0.0 110.839 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.567 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.83 -32.21 18.73 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.334 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -82.14 -13.33 57.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.828 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.44 124.7 20.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.5 p -85.85 164.74 17.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.45 ' CG1' ' HB2' ' A' ' 70' ' ' ASP . 42.6 mm -51.02 -42.56 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.04 -47.64 53.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -63.58 -47.91 79.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 40.5 mm -46.16 -47.78 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.104 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.442 ' NZ ' ' O ' ' A' ' 55' ' ' GLN . 16.1 mttm -56.19 -44.82 79.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -54.99 -53.47 55.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 45' ' ' LYS . 15.1 mt -45.19 -64.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.421 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 4.4 t80 -40.34 -34.83 0.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 45' ' ' LYS . 5.7 m -66.24 -41.72 89.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 42' ' ' LEU . 8.0 mtpm? -34.67 -63.72 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.1 m -59.89 -60.37 3.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 54.6 m-70 -105.52 99.5 21.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.562 0.696 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.6 Cg_endo -69.77 -43.36 2.7 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.734 2.289 . . . . 0.0 112.314 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -48.59 -36.82 16.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 18.0 m0 -80.89 82.13 6.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.62 162.14 5.23 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.661 0.743 . . . . 0.0 110.929 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -21.58 33.04 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.659 2.24 . . . . 0.0 112.338 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.81 -12.01 15.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 56' ' ' SER . 25.5 mtp180 -106.11 -55.44 2.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.442 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . 59.9 mt-30 -37.12 94.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.955 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 54' ' ' ARG . 36.9 m -98.12 106.94 19.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.8 mt -97.69 141.43 30.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -147.86 135.56 20.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 35.1 mt -57.98 -19.61 31.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -155.7 151.55 22.34 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.616 0.722 . . . . 0.0 110.851 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.502 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.8 Cg_endo -69.76 -5.5 16.37 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.325 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -126.35 22.0 7.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -108.17 -144.86 11.34 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.77 148.65 50.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.807 0.337 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.8 p -39.78 143.17 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.7 mt -83.13 155.49 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -110.38 146.02 36.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -48.81 -36.59 17.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.834 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -48.4 -32.59 7.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.45 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 4.4 m-20 -62.63 150.86 39.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -137.62 152.24 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.166 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.6 mt -64.67 -12.91 51.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -110.29 -14.22 14.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.0 mmtt -98.78 -28.5 13.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.523 ' C ' ' H ' ' A' ' 77' ' ' VAL . 0.4 OUTLIER -59.25 155.46 35.26 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.621 0.724 . . . . 0.0 110.906 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 25.25 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.523 ' H ' ' C ' ' A' ' 75' ' ' LEU . 6.6 t -119.44 168.09 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -102.8 -149.57 21.66 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.9 p -57.75 -25.57 60.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.857 0.36 . . . . 0.0 111.179 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 55.8 m -104.68 90.31 3.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -91.73 142.82 27.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.0 m -122.91 124.96 44.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.43 HD11 ' CG1' ' A' ' 13' ' ' VAL . 18.4 mt -117.91 141.78 48.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.502 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 87.8 m-85 -106.43 132.7 52.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 1.6 t80 -95.84 140.67 30.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.922 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 3' ' ' SER . 43.9 t -101.53 -48.61 4.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.9 0.381 . . . . 0.0 110.848 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 2' ' ' SER . 84.2 p 34.55 42.92 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.37 140.92 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.526 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -154.79 142.88 20.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.927 0.394 . . . . 0.0 110.811 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -88.75 127.2 35.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.822 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.64 121.63 7.02 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -104.94 124.11 48.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.898 0.38 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -95.13 44.04 1.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -79.22 173.35 12.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -90.88 146.38 23.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.424 ' HG2' ' CG ' ' A' ' 28' ' ' ASP . 28.2 mt-10 -107.39 110.6 22.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.5 t -119.28 109.45 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 pm0 -100.34 101.5 12.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.9 mt -75.27 100.66 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.0 mt -99.07 168.93 9.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -84.97 156.91 20.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.72 3.17 55.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.62 -64.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.3 p -89.74 -4.79 57.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 41.19 46.13 2.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -99.42 139.68 34.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -58.32 113.13 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.1 mt -101.11 -40.08 7.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.5 t -153.71 142.89 21.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -126.0 111.53 14.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.8 mt -109.79 92.58 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.424 ' CG ' ' HG2' ' A' ' 12' ' ' GLU . 13.2 t0 -91.8 13.73 17.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -127.98 43.55 3.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.455 ' CG1' ' CD1' ' A' ' 72' ' ' LEU . 40.5 t -100.55 145.75 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -83.22 148.07 55.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.64 0.733 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.564 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.73 -39.28 6.75 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.698 2.266 . . . . 0.0 112.35 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 -77.4 -8.53 57.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.23 129.59 40.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 76.5 p -85.41 154.67 21.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.5 mm -41.79 -42.87 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.81 -50.78 43.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -58.59 -42.63 88.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.4 mm -46.44 -50.16 5.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -53.61 -52.37 60.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -45.65 -48.9 14.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.1 mt -51.09 -63.37 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.437 ' CG ' ' OE1' ' A' ' 55' ' ' GLN . 9.3 t80 -44.69 -31.63 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 45' ' ' LYS . 1.8 m -67.6 -41.83 83.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 44' ' ' THR . 66.8 mttm -36.89 -68.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.5 m -56.9 -57.12 13.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -106.08 93.82 8.41 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.614 0.721 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -36.52 10.85 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.699 2.266 . . . . 0.0 112.394 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -54.63 -29.93 53.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 17.0 m0 -87.21 114.54 23.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.518 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -91.52 161.87 33.18 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.659 0.742 . . . . 0.0 110.946 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -30.86 21.49 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.88 -17.58 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.518 ' HD2' ' CZ ' ' A' ' 51' ' ' TYR . 36.4 mtt180 -103.73 -62.13 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.437 ' OE1' ' CG ' ' A' ' 43' ' ' PHE . 57.5 mt-30 -38.14 109.88 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.8 t -109.92 110.95 22.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.415 ' C ' ' HG3' ' A' ' 58' ' ' ARG . 61.2 mt -94.57 144.37 25.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.415 ' HG3' ' C ' ' A' ' 57' ' ' LEU . 4.5 mtt-85 -149.27 131.82 15.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.1 mt -55.64 -24.66 34.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -148.7 153.05 38.88 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.606 0.717 . . . . 0.0 110.883 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.521 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.4 Cg_endo -69.79 -8.81 24.54 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.315 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -131.18 28.82 4.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -111.76 -122.12 4.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -138.76 177.26 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.4 p -78.68 135.61 37.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 mt -73.23 159.01 34.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -129.12 143.91 51.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -37.07 -46.41 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' ASP . 10.4 pt-20 -34.98 -46.45 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -62.09 147.85 46.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 72' ' ' LEU . 13.1 t -131.62 156.03 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.165 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.455 ' CD1' ' CG1' ' A' ' 30' ' ' VAL . 13.3 mt -64.23 -10.63 24.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -112.01 -19.44 12.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -93.17 -28.94 15.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.523 ' N ' HD23 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -59.46 154.9 41.08 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.731 . . . . 0.0 110.907 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 24.9 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.652 2.235 . . . . 0.0 112.327 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.521 ' H ' ' C ' ' A' ' 75' ' ' LEU . 3.9 t -119.13 170.88 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.402 ' H ' ' CG1' ' A' ' 77' ' ' VAL . . . -107.57 -151.18 16.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 34.1 p -51.47 -39.2 57.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.367 . . . . 0.0 111.127 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.4 m -97.46 96.56 8.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.205 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -94.1 148.7 21.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.076 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.8 m -124.97 124.96 43.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 26.6 mt -119.47 141.52 49.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.521 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 83.3 m-85 -105.31 132.54 51.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.57 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.6 OUTLIER -97.25 145.83 25.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -135.97 118.42 15.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.08 131.48 47.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 -179.95 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.5 t -126.88 111.0 13.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.837 0.351 . . . . 0.0 110.827 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t -71.44 103.93 3.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.92 171.99 13.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 m -60.01 164.95 3.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.848 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.4 p -83.37 98.73 9.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.13 131.81 12.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 88.5 mtp -140.21 117.13 11.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.362 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.98 92.6 3.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -119.59 179.26 4.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.506 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 4.2 m-85 -92.05 139.64 30.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -102.75 110.09 21.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.1 t -117.81 120.68 65.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -113.03 106.31 14.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.7 mt -80.24 100.53 4.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.3 mt -98.16 169.78 9.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -87.3 156.65 19.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.98 3.39 54.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -124.72 -60.06 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.5 p -93.49 -6.97 45.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 43.93 47.68 7.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -102.13 141.93 34.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -64.12 110.32 2.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.3 mt -97.61 -30.94 12.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t -155.0 144.01 20.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.551 ' CE2' ' OD1' ' A' ' 28' ' ' ASP . 28.2 t80 -129.26 108.16 10.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.0 mt -109.91 102.36 11.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.551 ' OD1' ' CE2' ' A' ' 26' ' ' PHE . 7.4 m-20 -99.53 2.11 44.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -118.29 42.63 2.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.459 HG12 ' CD1' ' A' ' 72' ' ' LEU . 5.2 t -95.38 149.74 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -90.24 147.01 35.91 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.64 0.733 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.506 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.76 -30.91 21.54 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.702 2.268 . . . . 0.0 112.357 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -84.09 -5.66 59.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.0 126.77 30.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.3 p -85.8 157.06 20.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.5 mm -46.03 -42.06 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.07 -45.07 64.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.129 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -65.42 -43.19 91.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.4 mm -51.27 -52.44 19.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -51.66 -41.48 61.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 -59.89 -49.51 77.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.5 mt -47.98 -58.18 4.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -49.63 -31.53 11.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 45' ' ' LYS . 2.9 m -66.43 -41.88 88.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 44' ' ' THR . 37.5 mtpt -34.97 -69.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.1 m -58.74 -54.76 43.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.165 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 51.5 m-70 -104.96 91.77 4.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.642 0.734 . . . . 0.0 110.856 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -33.22 17.28 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.717 2.278 . . . . 0.0 112.369 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -57.07 -31.17 64.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -86.3 116.11 24.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.522 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.4 OUTLIER -95.29 159.79 32.09 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.683 0.754 . . . . 0.0 110.918 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -22.56 31.96 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.662 2.241 . . . . 0.0 112.375 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.26 -26.18 61.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.522 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 7.4 ttm180 -95.35 -35.92 11.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -72.45 132.07 43.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.6 t -119.7 125.45 48.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.0 mt -110.9 141.22 44.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -149.84 139.52 21.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.42 ' CG ' HD22 ' A' ' 66' ' ' LEU . 4.0 mt -62.2 -27.28 68.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.87 151.74 60.42 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.605 0.717 . . . . 0.0 110.876 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.488 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.5 Cg_endo -69.74 -15.3 37.1 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.335 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -124.84 22.72 8.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -101.91 -124.79 5.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.3 ptmm? -138.1 175.62 9.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 83.8 p -75.72 133.99 40.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.42 HD22 ' CG ' ' A' ' 59' ' ' LEU . 7.9 mt -72.26 154.74 40.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.463 ' N ' ' HD3' ' A' ' 67' ' ' LYS . 1.7 mppt? -117.83 149.64 40.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -48.88 -46.32 42.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -41.59 -35.16 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.45 145.5 55.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 72' ' ' LEU . 6.6 t -133.76 159.32 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.459 ' CD1' HG12 ' A' ' 30' ' ' VAL . 12.2 mt -68.26 -11.21 59.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -113.03 -4.28 13.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -114.05 -25.06 8.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.528 ' C ' ' H ' ' A' ' 77' ' ' VAL . 0.4 OUTLIER -60.03 155.42 44.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.55 0.69 . . . . 0.0 110.984 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 25.46 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.676 2.251 . . . . 0.0 112.347 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.528 ' H ' ' C ' ' A' ' 75' ' ' LEU . 6.8 t -120.66 169.78 11.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.186 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.41 ' H ' ' CG1' ' A' ' 77' ' ' VAL . . . -103.62 -154.47 23.96 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.538 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.9 p -50.8 -45.23 59.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 111.12 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.6 m -91.35 93.89 9.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.72 141.35 28.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.9 m -122.15 128.91 51.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 30.3 mt -120.85 143.89 48.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.488 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 88.3 m-85 -106.01 137.91 43.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.541 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -95.0 142.97 26.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -136.56 128.74 29.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -74.64 128.73 36.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.937 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.2 m -110.59 174.16 5.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 110.849 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.0 p -42.47 119.28 1.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.07 -157.81 16.61 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 m -119.37 147.46 44.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 0.0 110.828 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -124.94 159.62 30.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.801 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.54 118.83 4.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.445 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.8 tpp -91.88 144.46 25.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -88.34 79.73 7.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -77.81 176.75 8.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.541 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 4.4 m-85 -85.59 138.33 32.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -102.98 109.91 21.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 98.7 t -115.35 111.78 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.429 ' OE1' ' NZ ' ' A' ' 23' ' ' LYS . 5.5 pt-20 -104.5 99.57 9.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.7 mt -77.46 106.41 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.9 mt -102.75 172.5 6.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -90.21 157.11 17.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.02 2.81 56.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -121.38 -63.8 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.3 p -92.46 -9.4 41.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.0 mtm180 48.12 50.53 16.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -105.46 137.47 43.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.429 ' NZ ' ' OE1' ' A' ' 14' ' ' GLU . 4.3 tppt? -60.88 106.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.6 mt -94.86 -31.7 13.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t -151.68 132.35 13.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -122.74 106.33 10.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.3 mt -107.35 102.19 11.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 28' ' ' ASP . 11.7 t0 -99.67 10.8 40.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -125.41 35.29 4.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.6 t -90.35 156.34 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.065 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -96.5 149.23 35.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.541 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.74 -43.87 2.43 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.705 2.27 . . . . 0.0 112.373 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -72.43 -4.03 27.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.62 132.42 48.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.1 p -93.45 152.59 18.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.0 mm -41.19 -42.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.42 -46.83 56.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -66.01 -44.95 83.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.0 mm -50.22 -41.75 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -62.67 -41.68 99.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -57.01 -41.78 79.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.5 mt -57.78 -60.86 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.522 ' CE1' ' OE1' ' A' ' 55' ' ' GLN . 8.2 t80 -46.64 -35.01 5.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 45' ' ' LYS . 3.0 m -65.18 -44.47 88.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 44' ' ' THR . 7.9 mtmp? -34.45 -68.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.5 m -59.39 -55.34 35.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -105.5 90.67 4.23 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.566 0.698 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -31.25 21.3 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.678 2.252 . . . . 0.0 112.398 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -60.24 -30.55 69.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 16.3 m0 -87.17 97.48 10.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.466 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.9 OUTLIER -77.53 160.58 74.65 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.657 0.741 . . . . 0.0 110.94 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -24.85 28.97 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.36 -15.63 63.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.466 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 17.0 ttt85 -105.77 -50.67 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.522 ' OE1' ' CE1' ' A' ' 43' ' ' PHE . 32.3 mt-30 -53.97 121.52 8.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.0 t -111.49 115.48 29.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 65.8 mt -99.27 143.15 29.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -151.98 135.63 16.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.5 mt -56.31 -27.68 56.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -144.11 155.88 58.3 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.618 0.723 . . . . 0.0 110.831 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.47 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 53.4 Cg_endo -69.81 -6.49 18.76 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.71 2.273 . . . . 0.0 112.327 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.44 ' HE3' ' C ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -129.9 16.83 5.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -97.31 -121.26 4.16 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -148.0 175.9 10.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.75 0.31 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.9 t -72.74 137.31 45.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.7 mt -79.83 154.11 28.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -116.37 152.43 33.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.18 -40.55 16.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -44.16 -39.14 4.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -62.98 148.32 47.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.0 t -134.62 155.26 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.3 mt -65.99 -8.8 24.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -113.56 -18.39 11.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -96.34 -27.42 14.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.522 ' C ' ' H ' ' A' ' 77' ' ' VAL . 0.3 OUTLIER -58.71 155.1 32.23 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.704 . . . . 0.0 110.948 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 25.02 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.318 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.522 ' H ' ' C ' ' A' ' 75' ' ' LEU . 5.3 t -119.23 170.11 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 79' ' ' THR . . . -110.13 -165.31 19.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.536 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 78' ' ' GLY . 13.8 p -36.28 -43.19 0.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 111.138 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 89.3 m -94.36 97.95 10.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.414 ' HA ' ' CG1' ' A' ' 77' ' ' VAL . . . -94.86 145.27 25.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.069 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.8 m -128.0 123.32 34.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 46.6 mt -118.8 152.91 35.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.47 ' CE1' ' HD3' ' A' ' 61' ' ' PRO . 92.6 m-85 -115.46 132.33 56.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.508 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.6 OUTLIER -94.96 141.01 29.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.1 tpp85 -137.06 131.31 32.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.441 ' OD2' ' NH2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -74.14 133.56 42.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.85 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -132.49 170.34 15.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.884 0.373 . . . . 0.0 110.868 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 m -116.09 92.61 3.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.11 -82.93 1.27 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.468 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 t -68.68 114.14 6.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.885 0.374 . . . . 0.0 110.826 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -106.16 170.16 8.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.81 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.98 116.31 0.91 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.2 tpt -88.24 43.52 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.83 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? 59.02 47.07 12.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.1 m80 -101.16 179.96 4.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.83 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.538 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 4.3 m-85 -91.67 144.22 25.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -106.52 111.07 23.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.5 t -118.34 113.05 40.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -107.05 103.54 12.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 95.0 mt -79.15 101.25 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.9 mt -101.69 171.13 7.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -85.74 155.75 20.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.51 4.42 52.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.068 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -123.03 -65.01 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.7 p -90.73 -8.0 50.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 46.87 51.32 12.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -101.83 138.28 39.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.29 105.87 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.3 mt -92.9 -38.39 11.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -153.64 148.87 26.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -135.78 105.92 6.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.0 mt -106.1 100.23 9.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.427 ' O ' ' CG ' ' A' ' 28' ' ' ASP . 16.3 t0 -96.84 16.51 19.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -135.02 42.52 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.0 t -97.38 152.62 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -89.0 148.1 40.29 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.639 0.733 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.538 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.8 Cg_endo -69.74 -31.51 20.47 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.701 2.268 . . . . 0.0 112.327 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -82.4 -15.65 51.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.9 127.58 32.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.7 p -87.73 162.49 17.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.413 ' CG2' ' HE3' ' A' ' 40' ' ' LYS . 41.3 mm -49.31 -43.24 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.38 -48.69 46.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.19 -45.16 89.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 27.2 mm -48.72 -37.36 8.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.413 ' HE3' ' CG2' ' A' ' 36' ' ' ILE . 37.0 mttt -66.81 -41.89 86.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -56.77 -43.69 81.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.3 mt -55.79 -68.78 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -38.86 -47.51 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 45' ' ' LYS . 1.2 m -45.59 -45.72 13.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 44' ' ' THR . 5.8 mtpm? -35.67 -66.68 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.0 m -56.95 -50.52 72.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -112.8 97.77 42.59 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.585 0.707 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -36.41 10.89 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.639 2.226 . . . . 0.0 112.389 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -59.66 -31.41 69.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 13.7 m0 -81.59 93.43 6.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -75.19 160.21 80.7 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.641 0.734 . . . . 0.0 110.947 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -28.43 25.33 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.725 2.283 . . . . 0.0 112.368 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.14 -26.82 65.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -100.78 -45.62 5.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -48.81 98.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 t -98.8 131.59 44.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.421 ' C ' ' HG3' ' A' ' 58' ' ' ARG . 29.4 mt -117.41 144.38 45.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.421 ' HG3' ' C ' ' A' ' 57' ' ' LEU . 14.3 mtt-85 -148.2 135.56 20.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.6 mt -59.23 -22.13 60.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -151.31 153.3 32.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.595 0.712 . . . . 0.0 110.882 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.474 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.9 Cg_endo -69.75 -10.44 28.57 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -128.62 24.44 5.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -101.66 -123.37 5.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.511 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.404 ' C ' ' NH1' ' A' ' 58' ' ' ARG . 31.5 pttt -136.27 -176.23 4.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.785 0.326 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.8 p -83.73 125.07 31.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.59 162.37 26.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -139.0 151.54 46.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 69' ' ' GLU . 13.7 p-10 -43.15 -49.46 6.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 68' ' ' ASP . 13.8 pt-20 -35.47 -37.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -65.67 148.75 51.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.429 HG13 ' N ' ' A' ' 72' ' ' LEU . 15.2 t -135.81 150.42 28.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.429 ' N ' HG13 ' A' ' 71' ' ' VAL . 12.8 mt -60.8 -9.49 4.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.936 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -112.0 -20.35 12.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -90.39 -30.64 17.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.526 ' C ' ' H ' ' A' ' 77' ' ' VAL . 0.3 OUTLIER -60.55 154.79 53.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.646 0.736 . . . . 0.0 110.887 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 25.0 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.667 2.245 . . . . 0.0 112.291 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.526 ' H ' ' C ' ' A' ' 75' ' ' LEU . 8.1 t -118.34 169.22 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -107.77 -153.97 18.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.8 p -48.77 -43.41 37.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.905 0.383 . . . . 0.0 111.127 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.2 m -89.61 89.21 7.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -89.35 147.52 24.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.083 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 34.1 m -129.59 126.23 38.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.8 mt -120.79 150.11 41.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.474 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 86.2 m-85 -113.23 133.96 54.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.553 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 1.3 t80 -96.6 141.19 30.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.5 tpp85 -133.11 122.25 23.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.4 119.45 11.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 17.8 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.935 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.4 m -76.58 159.85 29.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.875 0.369 . . . . 0.0 110.864 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.5 p -48.39 171.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.8 -165.14 35.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.538 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 m -91.4 -58.47 2.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.89 0.376 . . . . 0.0 110.855 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 m -138.79 177.41 7.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.97 -111.04 0.48 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.4 tpp -68.12 110.58 4.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -125.17 94.91 4.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -114.01 177.84 4.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.5 m-85 -89.11 137.99 31.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -100.16 109.98 22.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.3 t -116.86 114.25 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.161 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.408 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 11.3 pt-20 -104.12 100.5 10.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.9 mt -76.33 98.24 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.1 mt -98.73 172.12 7.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.406 ' HB3' ' N ' ' A' ' 21' ' ' ARG . 35.1 t70 -90.83 157.56 17.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.27 -11.54 43.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -107.13 -75.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.4 p -82.2 -10.8 59.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.406 ' N ' ' HB3' ' A' ' 17' ' ' ASP . 18.0 mtm-85 46.06 51.44 10.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -102.28 132.73 48.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.55 107.79 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.1 mt -96.42 -39.84 9.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -158.57 140.81 14.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.408 ' CE2' ' HB3' ' A' ' 14' ' ' GLU . 14.3 t80 -128.13 105.93 8.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.0 mt -99.14 95.18 6.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -91.87 16.26 11.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -133.08 41.0 3.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.6 t -98.95 149.82 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -87.23 151.47 51.36 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.741 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.551 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 52.9 Cg_endo -69.82 -40.07 5.66 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.634 2.222 . . . . 0.0 112.326 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 -73.24 -20.16 60.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.92 126.79 17.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.0 p -87.85 162.64 16.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.411 ' CG1' ' HB2' ' A' ' 70' ' ' ASP . 42.7 mm -49.24 -43.55 16.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.09 -48.85 33.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -62.82 -47.5 83.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 51.4 mm -45.91 -47.42 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.116 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.7 mttt -57.6 -45.5 85.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -55.08 -52.54 62.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.9 mt -45.77 -63.6 0.93 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -45.24 -40.91 7.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 45' ' ' LYS . 4.2 m -62.13 -42.91 99.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 44' ' ' THR . 39.0 mtpt -34.19 -63.99 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.2 m -61.86 -57.36 12.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.194 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 30.7 m-70 -103.92 97.95 12.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.574 0.702 . . . . 0.0 110.872 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.4 Cg_endo -69.81 -43.72 2.46 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.609 2.206 . . . . 0.0 112.328 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -47.1 -34.8 6.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -82.6 94.65 7.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.444 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 1.0 OUTLIER -73.66 160.21 82.68 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.629 0.728 . . . . 0.0 110.948 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -25.03 28.93 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.25 . . . . 0.0 112.328 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.52 -18.67 65.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.09 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.444 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 9.5 ttt180 -100.96 -50.9 3.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -53.56 117.36 3.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.8 t -113.77 119.26 36.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 75.6 mt -104.0 138.27 40.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.8 mtt-85 -142.92 135.4 27.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.452 ' CG ' HD21 ' A' ' 66' ' ' LEU . 5.8 mt -59.11 -20.82 56.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -153.15 153.74 29.96 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.587 0.708 . . . . 0.0 110.841 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.538 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.5 Cg_endo -69.79 -14.66 36.3 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.713 2.275 . . . . 0.0 112.305 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -124.6 32.89 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -113.43 -122.06 3.82 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -147.82 168.57 21.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.756 0.312 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 55.5 p -64.28 141.51 58.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.452 HD21 ' CG ' ' A' ' 59' ' ' LEU . 7.3 mt -81.57 155.45 25.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 7.0 mptt -115.56 144.83 43.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.14 -43.73 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -44.14 -37.52 3.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.411 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 5.8 m-20 -56.5 150.79 14.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.4 t -139.04 151.54 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.8 mt -62.68 -10.76 13.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -111.4 -18.03 12.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -94.25 -29.39 15.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.526 ' C ' ' H ' ' A' ' 77' ' ' VAL . 0.4 OUTLIER -58.95 155.4 32.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.58 0.705 . . . . 0.0 110.915 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 25.02 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.694 2.263 . . . . 0.0 112.327 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.526 ' H ' ' C ' ' A' ' 75' ' ' LEU . 5.1 t -119.52 170.15 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -107.86 -153.41 17.72 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.522 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.5 p -48.19 -43.82 32.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 111.119 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 62.4 m -92.15 94.28 9.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.08 147.86 22.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 73.8 m -126.55 127.76 45.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 33.9 mt -120.91 142.19 49.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.538 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 83.7 m-85 -107.05 134.69 49.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.433 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 2.9 t80 -94.85 140.66 29.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.481 ' O ' ' CD2' ' A' ' 88' ' ' LEU . 11.0 tpp180 -129.95 122.68 29.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -73.58 122.05 21.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.81 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 86' ' ' ARG . 3.7 mm? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -96.46 -48.26 5.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.936 0.398 . . . . 0.0 110.937 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.4 m 53.21 42.28 32.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.65 59.07 0.69 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -48.48 -57.18 6.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.6 p -66.22 -42.88 88.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.897 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.96 -135.51 12.79 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.447 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 mpt? 57.03 36.38 27.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 pttt -69.95 80.83 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -77.45 173.68 11.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.549 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -91.79 144.37 25.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -109.16 109.91 21.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.1 t -114.08 104.92 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -92.72 100.13 12.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.6 mt -77.13 98.17 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.123 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.9 mt -100.47 168.93 9.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -88.64 157.96 18.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.9 -10.23 45.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.18 -75.31 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.3 p -79.32 -14.27 59.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.133 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 51.69 50.74 18.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -103.03 144.63 31.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 105.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 mt -94.89 -37.09 11.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.3 t -149.6 139.56 21.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -129.03 106.1 8.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.3 mt -105.3 108.13 19.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -104.69 15.51 27.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -134.1 42.44 2.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.8 t -96.23 154.09 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -90.39 147.55 36.94 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.569 0.7 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.549 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 54.4 Cg_endo -69.77 -27.33 26.57 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.365 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -90.0 2.19 55.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.96 126.08 28.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 82.3 p -87.32 160.27 18.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.413 ' CG1' ' HB2' ' A' ' 70' ' ' ASP . 27.8 mm -48.98 -38.33 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.02 -45.42 64.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -69.82 -46.83 64.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 37.9 mm -46.6 -40.8 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.091 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -64.13 -43.42 95.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -57.0 -48.83 77.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.9 mt -50.73 -55.73 15.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 5.2 t80 -54.06 -34.07 59.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.9 m -67.66 -35.9 79.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -40.23 -68.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.4 m -55.58 -51.8 65.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -105.79 92.44 6.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -29.54 23.63 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.76 2.306 . . . . 0.0 112.291 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -63.47 -28.34 69.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.942 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 17.0 m0 -89.3 111.48 22.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.444 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 0.4 OUTLIER -88.14 161.67 42.78 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.705 0.764 . . . . 0.0 110.951 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -19.35 36.43 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.718 2.279 . . . . 0.0 112.334 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.12 -2.17 7.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.444 ' HD2' ' CZ ' ' A' ' 51' ' ' TYR . 35.1 mtt180 -119.21 -54.69 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.401 ' OE1' ' CD1' ' A' ' 43' ' ' PHE . 53.4 mt-30 -45.2 109.91 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.0 m -109.04 109.38 20.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.828 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.1 mt -92.21 141.72 28.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -148.47 131.51 16.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.3 mt -54.76 -19.71 6.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -153.35 153.9 29.93 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.641 0.734 . . . . 0.0 110.851 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.469 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.78 -5.94 17.43 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.338 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -129.79 16.43 5.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -96.59 -128.76 5.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -135.44 175.9 9.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.7 p -75.98 129.36 36.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.2 mt -73.73 161.23 30.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -129.78 155.24 46.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -46.42 -42.52 15.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -39.98 -37.82 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.413 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 44.0 m-20 -63.03 156.89 23.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.6 t -141.76 151.86 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.7 mt -66.41 -12.94 59.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -110.68 -16.22 13.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm -97.43 -27.93 14.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.521 ' C ' ' H ' ' A' ' 77' ' ' VAL . 0.3 OUTLIER -59.18 154.94 37.86 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.563 0.697 . . . . 0.0 110.931 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 24.75 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.521 ' H ' ' C ' ' A' ' 75' ' ' LEU . 4.6 t -118.63 170.31 8.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.138 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 79' ' ' THR . . . -112.72 -165.43 16.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 78' ' ' GLY . 19.9 p -34.51 -43.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 111.105 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.9 m -93.81 98.03 10.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.404 ' HA ' ' CG1' ' A' ' 77' ' ' VAL . . . -98.15 146.7 25.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.5 m -128.89 122.03 29.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.4 mt -115.76 145.5 42.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.469 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 82.6 m-85 -109.02 132.47 54.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -95.49 137.5 34.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -124.33 128.42 49.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -60.62 104.73 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.2 tp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -132.63 122.75 25.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.922 0.391 . . . . 0.0 110.827 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.3 m -142.3 155.72 45.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.55 59.58 0.55 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -79.26 90.56 4.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 0.0 110.884 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t -74.93 145.74 42.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.65 -76.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.503 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.8 tpp -134.22 118.27 17.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -90.08 84.31 6.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.6 m80 -68.7 173.1 5.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.861 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.6 m-85 -87.89 146.33 25.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.953 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -107.1 109.83 21.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.0 t -116.76 112.08 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.107 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -102.91 101.37 11.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.4 mt -77.33 99.63 2.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.3 mt -99.36 169.62 9.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -86.58 156.51 20.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.24 -0.16 57.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -121.08 -63.88 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.9 p -87.88 -8.71 55.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.5 mtm180 44.31 46.35 7.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -101.77 144.29 30.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.8 tppt? -61.7 108.67 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.8 mt -95.49 -38.3 10.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.1 t -155.43 147.3 23.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -132.34 102.32 5.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.8 mt -102.14 95.37 6.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -92.03 11.24 25.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.48 40.71 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.9 t -95.9 148.92 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -86.68 146.61 41.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.665 0.745 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.564 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 54.1 Cg_endo -69.73 -36.52 10.73 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.356 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -75.51 -23.61 56.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.55 133.79 41.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.8 p -89.92 171.83 9.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.452 ' CG2' ' HE3' ' A' ' 40' ' ' LYS . 37.2 mm -55.71 -44.72 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.8 -47.9 30.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -62.0 -46.15 90.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.6 mm -46.02 -47.68 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.452 ' HE3' ' CG2' ' A' ' 36' ' ' ILE . 0.8 OUTLIER -52.94 -51.37 61.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.843 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -50.91 -55.55 16.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.4 mt -41.56 -47.16 3.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.557 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 4.7 t80 -67.69 -39.79 84.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 m -57.85 -39.33 77.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.167 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -38.05 -62.49 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.7 m -62.69 -58.89 5.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.183 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -101.36 98.84 9.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.59 0.709 . . . . 0.0 110.882 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -46.18 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 2.241 . . . . 0.0 112.332 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -46.59 -30.74 2.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 16.7 m0 -85.47 113.22 21.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -91.0 161.55 35.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.729 0.776 . . . . 0.0 110.895 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -9.79 26.98 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.04 -30.57 34.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.109 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.563 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 8.1 ttt180 -91.21 -49.39 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.557 ' OE1' ' CD1' ' A' ' 43' ' ' PHE . 38.5 mt-30 -52.7 93.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.6 t -86.9 134.67 33.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.6 mt -125.31 137.64 54.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.9 mtt180 -146.42 145.22 30.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.3 mt -65.1 -16.74 63.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -156.76 151.33 20.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.565 0.698 . . . . 0.0 110.858 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.472 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 54.6 Cg_endo -69.67 -11.19 30.43 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.704 2.269 . . . . 0.0 112.382 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -125.98 23.85 7.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -102.66 -121.2 4.87 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -141.84 178.63 7.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.767 0.318 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.8 p -78.65 120.67 23.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.0 mt -61.63 159.0 14.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -125.94 149.07 49.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.48 -44.8 36.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -43.1 -25.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -73.74 144.95 45.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.6 t -129.0 155.64 41.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.4 mt -65.34 -9.12 21.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.943 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -112.62 -24.12 9.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -88.69 -29.65 19.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.521 ' C ' ' H ' ' A' ' 77' ' ' VAL . 0.4 OUTLIER -58.15 155.19 26.69 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.617 0.723 . . . . 0.0 110.912 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 25.08 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.521 ' H ' ' C ' ' A' ' 75' ' ' LEU . 4.9 t -120.1 170.37 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.093 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.4 ' H ' ' CG1' ' A' ' 77' ' ' VAL . . . -110.92 -162.97 18.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.6 p -40.64 -39.24 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.369 . . . . 0.0 111.121 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 37.8 m -95.48 91.92 6.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.405 ' HA ' ' CG1' ' A' ' 77' ' ' VAL . . . -93.57 147.99 22.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.038 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.3 m -129.01 128.2 43.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.8 mt -121.25 137.29 54.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.472 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 81.4 m-85 -100.85 138.95 37.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.57 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.7 OUTLIER -95.29 139.86 31.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -131.02 130.55 43.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.17 123.03 27.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 p -38.53 -44.53 0.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 0.0 110.855 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.7 t -108.34 89.63 3.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.63 -119.21 3.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.507 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.7 p -101.44 131.61 47.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.902 0.382 . . . . 0.0 110.824 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -166.15 151.93 8.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.0 90.01 0.1 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.498 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.0 ptt? -116.38 138.58 51.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 110.837 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -118.52 86.21 2.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -119.32 -176.94 3.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.556 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -99.74 137.61 37.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -100.62 109.96 22.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 85.2 t -116.91 121.25 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -110.6 99.98 8.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.7 mt -76.89 101.02 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.165 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mt -100.04 170.4 8.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -86.82 156.92 19.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.81 -1.14 57.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.419 ' HE2' ' C ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -117.6 -70.01 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.9 p -87.83 -5.3 58.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 mtt85 42.67 49.55 4.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -100.38 131.22 46.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -51.02 105.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.2 mt -93.48 -35.24 13.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -157.58 144.92 18.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -132.05 105.15 7.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.7 mt -101.58 97.53 7.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -93.91 11.57 29.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -129.17 47.38 2.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.425 HG11 ' CD1' ' A' ' 72' ' ' LEU . 20.4 t -105.4 145.06 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -83.66 151.03 60.86 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.655 0.74 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.556 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.8 Cg_endo -69.79 -44.82 1.84 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.354 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -70.02 -9.22 54.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.59 129.05 39.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.8 p -92.23 159.7 15.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.443 ' CG2' ' HE2' ' A' ' 40' ' ' LYS . 42.5 mm -46.18 -41.9 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.14 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.3 -48.91 45.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.054 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -63.0 -52.64 62.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.3 mm -38.35 -46.53 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.443 ' HE2' ' CG2' ' A' ' 36' ' ' ILE . 3.4 mptp? -55.4 -53.54 54.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -47.14 -46.89 23.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.2 mt -52.4 -64.07 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.96 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.518 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 4.1 t80 -48.17 -34.94 10.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 m -66.87 -45.56 77.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.106 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -36.95 -63.41 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.87 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.7 m -59.37 -60.53 3.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.154 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -103.29 102.38 28.53 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.62 0.724 . . . . 0.0 110.861 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -44.95 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.714 2.276 . . . . 0.0 112.348 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -48.25 -37.67 16.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 13.8 m0 -78.72 103.53 8.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.455 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.6 OUTLIER -85.38 160.87 53.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.72 0.771 . . . . 0.0 110.913 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -26.26 27.68 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.25 -30.0 71.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.455 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 9.5 ttt85 -92.6 -59.58 2.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.518 ' OE1' ' CD1' ' A' ' 43' ' ' PHE . 32.6 mt-30 -45.17 115.08 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.5 t -110.46 140.36 44.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.415 ' C ' ' HG3' ' A' ' 58' ' ' ARG . 97.3 mt -124.2 138.84 54.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.415 ' HG3' ' C ' ' A' ' 57' ' ' LEU . 8.6 mtt-85 -144.65 137.13 26.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.7 mt -59.41 -22.93 62.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -152.03 153.76 31.74 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.627 0.727 . . . . 0.0 110.835 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.556 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.5 Cg_endo -69.82 -13.14 34.12 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.251 . . . . 0.0 112.368 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -126.36 32.73 5.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -114.87 -124.86 3.94 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -137.24 179.97 6.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.2 p -85.1 131.41 34.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.2 mt -72.56 162.6 29.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.957 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -129.79 160.86 32.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.38 -47.03 37.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -41.35 -37.85 1.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -63.41 143.05 58.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.0 t -131.96 156.0 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.425 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.3 mt -66.03 -13.97 60.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -110.16 -14.2 14.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -99.06 -28.26 13.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.523 ' C ' ' H ' ' A' ' 77' ' ' VAL . 0.4 OUTLIER -59.34 155.55 35.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.548 0.689 . . . . 0.0 110.967 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 25.28 0.17 Allowed 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.701 2.267 . . . . 0.0 112.389 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.523 ' H ' ' C ' ' A' ' 75' ' ' LEU . 6.7 t -120.07 169.55 11.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 79' ' ' THR . . . -109.86 -164.62 19.65 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.522 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 78' ' ' GLY . 17.7 p -35.87 -46.56 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 111.163 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 60.2 m -90.93 97.87 11.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.94 139.97 32.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.0 m -119.02 125.6 49.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.154 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.5 mt -121.05 134.37 55.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.556 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 93.0 m-85 -98.41 142.31 30.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.625 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.1 OUTLIER -99.33 142.38 30.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.42 ' HG3' ' CD1' ' A' ' 88' ' ' LEU . 15.0 tpt180 -132.41 126.02 32.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.951 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.411 ' C ' HD11 ' A' ' 88' ' ' LEU . 3.8 m-20 -71.0 121.9 19.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.42 ' CD1' ' HG3' ' A' ' 86' ' ' ARG . 10.0 mp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 m -89.89 172.57 8.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.894 0.378 . . . . 0.0 110.832 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -130.61 -60.45 0.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.2 -126.75 1.16 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.51 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.2 p -118.87 81.89 1.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.842 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -145.54 113.56 6.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.06 57.16 0.56 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.2 ttt -112.8 113.78 26.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.852 0.358 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -161.72 116.52 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -108.29 -179.77 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -92.3 142.34 27.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -103.13 109.9 21.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.2 t -117.67 114.92 46.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -106.05 99.62 9.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.4 mt -76.08 98.03 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.9 mt -99.43 171.24 8.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -89.64 156.04 18.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.74 -0.79 57.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.1 tptt -120.29 -72.93 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.9 p -80.28 -11.66 59.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 48.46 30.81 2.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -83.41 132.6 34.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.62 118.87 3.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.3 mt -103.32 -40.44 6.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.4 t -158.6 146.75 18.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -130.23 102.93 6.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.1 mt -101.28 99.63 10.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -95.2 8.55 42.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.1 mttt -122.83 37.21 4.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.403 ' CG1' ' CD1' ' A' ' 72' ' ' LEU . 16.5 t -91.51 146.37 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.134 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -84.39 146.32 47.28 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.625 0.726 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.569 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.7 Cg_endo -69.82 -31.69 19.77 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.324 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -83.22 -13.26 55.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.02 131.07 49.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.4 p -89.63 160.05 16.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.407 ' CG2' ' HE2' ' A' ' 40' ' ' LYS . 47.0 mm -48.32 -42.22 11.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.91 -46.57 52.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.53 -46.29 83.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.9 mm -43.41 -46.77 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.407 ' HE2' ' CG2' ' A' ' 36' ' ' ILE . 3.1 mptp? -54.06 -52.53 60.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -48.61 -52.78 21.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.8 mt -44.57 -57.79 3.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -55.9 -48.19 76.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 45' ' ' LYS . 3.2 m -49.71 -41.57 43.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.171 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 44' ' ' THR . 38.2 mtmt -36.54 -66.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.4 m -58.11 -56.2 25.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 61.2 m-70 -106.55 98.68 21.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.569 0.7 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.8 Cg_endo -69.74 -41.79 3.99 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -50.91 -33.42 24.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 15.5 m0 -81.84 95.23 7.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.496 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 1.0 OUTLIER -74.44 160.3 81.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.662 0.744 . . . . 0.0 110.944 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -14.67 36.63 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.705 2.27 . . . . 0.0 112.347 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.94 -20.73 55.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.496 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 24.4 ttt180 -102.16 -41.05 6.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -66.69 99.81 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.8 t -96.7 147.43 23.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.8 mt -127.9 140.4 52.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 -144.95 138.46 26.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.4 mt -60.78 -24.54 65.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -147.77 150.94 37.65 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.614 0.721 . . . . 0.0 110.896 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.529 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.74 -11.45 30.89 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.729 2.286 . . . . 0.0 112.314 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.06 21.43 7.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -106.37 -138.16 8.98 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.503 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.1 mmmt -118.42 178.97 4.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.829 0.347 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.6 p -85.15 139.36 31.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.8 mt -79.6 162.6 25.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -131.22 153.24 49.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -44.78 -46.61 10.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -41.18 -37.56 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.59 145.9 54.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.4 t -131.72 151.97 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.403 ' CD1' ' CG1' ' A' ' 30' ' ' VAL . 15.1 mt -61.52 -10.1 7.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.954 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -111.97 -19.62 12.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -91.78 -30.25 16.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.524 ' C ' ' H ' ' A' ' 77' ' ' VAL . 0.4 OUTLIER -59.32 155.23 37.5 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.625 0.726 . . . . 0.0 110.928 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 25.07 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.524 ' H ' ' C ' ' A' ' 75' ' ' LEU . 5.7 t -119.82 170.13 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 79' ' ' THR . . . -112.2 -165.72 17.36 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.509 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 78' ' ' GLY . 71.1 p -34.45 -48.33 0.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.864 0.364 . . . . 0.0 111.135 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.1 m -89.41 95.46 10.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -98.23 148.2 23.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.6 m -126.15 126.39 44.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.145 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 28.7 mt -120.68 137.36 54.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.529 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 85.2 m-85 -103.08 140.57 37.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.559 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 1.2 t80 -97.61 145.27 26.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.442 ' N ' ' CD1' ' A' ' 85' ' ' PHE . 8.2 tpp180 -130.17 135.46 48.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -82.81 118.12 23.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.6 p -100.25 156.2 17.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.891 0.377 . . . . 0.0 110.801 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 m -95.79 143.89 26.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 41.99 -122.22 2.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.4 t -104.14 -59.28 1.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 110.856 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -91.38 166.29 12.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.5 -102.19 0.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.444 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.06 103.51 15.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -110.4 89.87 3.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -96.7 -179.67 4.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.828 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.5 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.3 m-85 -92.08 144.41 25.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -103.53 109.96 21.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 98.7 t -119.9 108.25 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.116 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -103.09 101.55 11.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 83.8 mt -73.94 99.43 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.4 mt -99.73 169.85 8.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.422 ' HB3' ' N ' ' A' ' 21' ' ' ARG . 20.5 t0 -85.7 157.45 20.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.68 -5.17 58.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.07 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -115.56 -75.34 0.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.433 HG22 ' CG ' ' A' ' 22' ' ' GLU . 9.8 t -82.49 -11.09 58.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.422 ' N ' ' HB3' ' A' ' 17' ' ' ASP . 2.1 mtm105 55.06 26.19 7.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.433 ' CG ' HG22 ' A' ' 20' ' ' THR . 18.8 mt-10 -68.77 131.63 45.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -55.61 109.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.0 mt -92.69 -48.21 6.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.84 154.15 39.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.924 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -134.93 102.78 5.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.6 mt -103.56 102.09 11.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -99.53 2.41 44.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -116.99 38.57 3.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.537 ' CG1' ' CD1' ' A' ' 72' ' ' LEU . 21.0 t -90.9 154.0 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -94.6 144.77 28.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.639 0.733 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.5 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 54.0 Cg_endo -69.84 -30.99 21.03 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.325 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -83.0 -16.44 47.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.27 131.07 49.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.0 p -86.42 164.93 16.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.407 ' CG1' ' HB2' ' A' ' 70' ' ' ASP . 43.2 mm -52.62 -38.16 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.48 -46.22 73.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.108 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.43 -41.94 98.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.0 mm -48.36 -47.52 14.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -53.52 -52.91 58.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -49.62 -48.0 49.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.6 mt -49.71 -52.58 30.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.502 ' CE1' ' OE1' ' A' ' 55' ' ' GLN . 3.9 t80 -60.0 -38.08 81.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 45' ' ' LYS . 2.3 m -62.4 -44.71 95.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 44' ' ' THR . 58.7 mttp -36.48 -67.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.489 HG22 ' CD2' ' A' ' 47' ' ' HIS . 32.9 m -58.84 -54.22 49.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.489 ' CD2' HG22 ' A' ' 46' ' ' THR . 16.4 m170 -108.86 96.75 21.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.598 0.713 . . . . 0.0 110.859 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -39.31 6.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.695 2.264 . . . . 0.0 112.352 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -52.9 -39.79 63.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -78.38 98.12 5.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -78.41 160.23 73.19 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.664 0.745 . . . . 0.0 110.895 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -28.64 24.88 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.332 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.65 -19.28 62.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.084 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.9 ttt-85 -104.39 -45.93 4.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.502 ' OE1' ' CE1' ' A' ' 43' ' ' PHE . 33.7 mt-30 -62.97 109.77 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.3 t -99.39 145.97 26.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.8 mt -133.0 134.38 44.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -147.09 146.83 30.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.6 mt -65.23 -25.91 67.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -145.36 152.03 49.03 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.617 0.722 . . . . 0.0 110.838 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.555 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.73 -13.25 34.47 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.318 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -125.67 27.24 6.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -103.51 -122.86 5.17 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.485 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -137.52 -176.15 4.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.33 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.1 p -86.25 121.63 29.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.0 mt -64.58 161.22 17.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -133.14 149.9 52.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 69' ' ' GLU . 3.9 p30 -42.69 -49.32 5.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 68' ' ' ASP . 10.1 pt-20 -35.9 -39.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.407 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 1.2 m-20 -61.81 149.84 38.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.2 t -133.11 153.34 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.537 ' CD1' ' CG1' ' A' ' 30' ' ' VAL . 13.1 mt -65.32 -11.77 45.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -111.53 -19.01 12.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.7 mmtt -94.05 -28.64 15.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.523 ' C ' ' H ' ' A' ' 77' ' ' VAL . 0.3 OUTLIER -58.66 155.06 32.0 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.642 0.734 . . . . 0.0 110.877 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 25.11 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.523 ' H ' ' C ' ' A' ' 75' ' ' LEU . 5.7 t -119.46 169.73 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.06 -164.5 19.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.462 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 36.1 p -40.77 -38.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 111.132 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 28.0 m -94.7 89.17 5.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.414 ' HA ' ' CG1' ' A' ' 77' ' ' VAL . . . -90.45 143.86 26.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.1 m -124.48 121.91 36.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 36.7 mt -114.98 132.25 56.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.555 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 72.0 m-85 -96.23 143.67 27.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.618 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.1 OUTLIER -105.82 142.09 36.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.844 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -133.02 119.26 19.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.0 112.66 3.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 87.2 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 p -105.45 -55.68 2.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.89 0.376 . . . . 0.0 110.885 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.8 p -117.31 105.06 11.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.82 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.07 -114.12 3.85 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 m 46.0 41.57 8.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.909 0.385 . . . . 0.0 110.87 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.6 m -83.3 157.95 22.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.34 -163.45 54.62 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.447 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -38.63 129.16 1.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -115.27 96.21 5.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.436 ' CE1' ' HZ3' ' A' ' 29' ' ' LYS . 16.4 m80 -55.53 177.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.502 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -92.31 139.21 30.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -102.31 110.02 21.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 86.1 t -117.82 120.89 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -108.85 99.7 9.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.4 mt -74.99 104.0 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.0 mt -103.3 171.99 7.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -89.62 155.27 19.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.814 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.05 3.12 54.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -125.03 -64.92 1.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 64.9 p -88.06 -9.21 54.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.106 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 45.69 46.32 11.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -101.19 135.79 42.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -53.65 108.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.9 mt -93.2 -39.11 11.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t -160.1 141.47 12.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -123.81 106.2 10.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.0 mt -102.43 98.77 8.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -93.14 8.85 38.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.436 ' HZ3' ' CE1' ' A' ' 10' ' ' HIS . 13.9 mtpp -127.37 46.91 2.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.507 ' CG1' ' CD1' ' A' ' 72' ' ' LEU . 29.3 t -100.85 143.21 14.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -81.63 145.53 54.79 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.632 0.73 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.502 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.81 -32.7 17.85 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.634 2.223 . . . . 0.0 112.333 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -82.94 -7.72 59.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.37 128.68 36.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 77.5 p -85.35 155.96 21.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.422 ' CG1' ' HB2' ' A' ' 70' ' ' ASP . 48.9 mm -43.51 -40.61 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.06 -50.07 62.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -59.21 -39.14 81.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 46.3 mm -54.5 -49.62 64.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -54.85 -43.66 73.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -57.81 -55.02 40.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.2 mt -44.49 -59.52 2.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.483 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 4.4 t80 -50.7 -35.06 29.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 45' ' ' LYS . 16.7 m -63.34 -40.85 98.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 44' ' ' THR . 29.6 mtmt -34.4 -69.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.57 HG22 ' CD2' ' A' ' 47' ' ' HIS . 1.1 t -56.02 -47.2 78.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.57 ' CD2' HG22 ' A' ' 46' ' ' THR . 52.9 m170 -113.0 95.86 36.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.591 0.71 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.8 Cg_endo -69.75 -37.13 9.61 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -56.7 -33.19 66.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.401 ' CD1' ' N ' ' A' ' 50' ' ' TRP . 12.8 m0 -81.2 88.65 6.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -69.45 160.33 79.74 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.712 0.768 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -37.93 8.39 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.66 -23.84 1.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -102.43 -56.69 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.483 ' OE1' ' CD1' ' A' ' 43' ' ' PHE . 28.2 mt-30 -44.89 105.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 t -98.87 148.98 23.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.8 mt -131.71 143.11 50.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -152.23 141.45 21.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.5 mt -65.26 -15.91 63.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -158.06 153.33 21.89 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.607 0.718 . . . . 0.0 110.851 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.53 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 54.0 Cg_endo -69.73 -10.36 28.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.657 2.238 . . . . 0.0 112.386 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -126.23 19.41 7.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -97.96 -137.95 9.94 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.438 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.42 ' HD3' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -118.56 179.25 4.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.762 0.315 . . . . 0.0 110.887 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.5 p -85.69 103.44 14.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.809 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.3 mt -46.11 157.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -133.04 150.04 52.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 69' ' ' GLU . 2.0 p30 -40.16 -52.01 2.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.461 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 9.5 pt-20 -34.93 -39.62 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.422 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 0.9 OUTLIER -59.63 148.24 34.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -134.34 152.48 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.183 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.507 ' CD1' ' CG1' ' A' ' 30' ' ' VAL . 14.0 mt -65.02 -12.37 49.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -111.01 -16.59 13.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt -96.52 -28.37 14.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.523 ' C ' ' H ' ' A' ' 77' ' ' VAL . 0.4 OUTLIER -59.22 155.17 36.81 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.66 0.743 . . . . 0.0 110.874 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 24.97 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.669 2.246 . . . . 0.0 112.332 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.523 ' H ' ' C ' ' A' ' 75' ' ' LEU . 3.8 t -119.73 170.95 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -112.28 -162.75 16.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.5 p -39.4 -36.52 0.37 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.848 0.356 . . . . 0.0 111.144 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.0 m -98.28 94.79 6.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.162 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.75 143.09 28.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.3 m -121.71 122.03 38.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 50.6 mt -117.0 137.2 52.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.53 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 83.5 m-85 -103.47 136.33 43.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -95.96 141.41 29.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.479 ' O ' ' CD1' ' A' ' 88' ' ' LEU . 4.4 tpm_? -133.4 119.51 19.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.76 124.13 23.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.479 ' CD1' ' O ' ' A' ' 86' ' ' ARG . 10.8 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -139.77 120.46 14.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.933 0.396 . . . . 0.0 110.848 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 m -93.1 85.75 5.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.34 135.55 15.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.474 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 m -95.21 135.46 36.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.387 . . . . 0.0 110.838 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -42.29 -45.06 4.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.5 -85.57 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.519 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.1 mpp? -102.65 148.48 25.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -98.98 88.63 4.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -86.53 173.35 9.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.506 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -90.33 138.32 31.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -100.01 110.12 22.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.8 t -118.75 116.88 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.084 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -110.0 100.03 9.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.1 mt -73.36 99.83 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.9 mt -98.7 170.68 8.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -88.82 155.4 19.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.1 -1.44 57.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -118.47 -67.15 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.9 p -88.15 -10.09 51.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.0 mtm-85 47.49 47.29 17.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -99.49 137.25 38.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -57.24 107.79 0.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.5 mt -93.12 -37.66 12.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -158.56 140.52 13.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -124.06 109.98 14.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.1 mt -109.63 101.17 10.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -97.43 9.75 41.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.797 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -124.96 40.7 3.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.8 t -96.5 145.69 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -84.96 149.18 52.69 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.662 0.744 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.506 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.8 Cg_endo -69.76 -37.67 8.84 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -77.3 -5.89 51.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.819 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.88 129.01 38.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.2 p -92.05 156.01 17.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.117 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.4 mm -41.36 -44.42 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.88 -52.05 15.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -61.31 -45.06 96.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.2 mm -47.1 -48.93 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -48.51 70.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -51.84 -53.55 39.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.6 mt -45.65 -61.33 1.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -50.16 -37.02 32.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 45' ' ' LYS . 1.9 m -58.82 -43.68 90.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.154 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 44' ' ' THR . 26.9 mttm -36.6 -67.8 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.6 m -59.17 -59.01 6.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.145 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -102.51 96.66 7.66 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.617 0.722 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -39.7 6.28 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -50.95 -28.04 8.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -87.67 116.24 25.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.456 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -98.45 160.77 27.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.678 0.751 . . . . 0.0 110.924 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -28.21 25.84 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.382 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.1 -34.59 78.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.456 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 9.2 ttm180 -90.42 -53.02 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -50.02 114.33 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 t -107.5 139.1 42.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 68.9 mt -122.78 142.65 50.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -149.55 138.19 20.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.4 mt -62.49 -25.4 67.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.87 150.29 49.24 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.614 0.721 . . . . 0.0 110.843 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.56 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.9 Cg_endo -69.77 -11.62 31.2 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 pttm -125.85 23.0 7.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -100.22 -119.78 4.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -142.48 -179.19 6.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.782 0.325 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.9 p -78.96 129.66 34.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.8 mt -74.05 160.62 31.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -131.93 151.53 51.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 70' ' ' ASP . 2.0 m-20 -46.28 -48.05 18.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -38.96 -27.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 68' ' ' ASP . 1.8 m-20 -72.85 145.01 47.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.0 t -129.48 152.23 36.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.4 mt -64.34 -11.47 32.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -111.47 -17.36 13.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -95.19 -29.45 14.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.526 ' C ' ' H ' ' A' ' 77' ' ' VAL . 0.4 OUTLIER -58.82 155.43 31.28 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.649 0.738 . . . . 0.0 110.907 179.886 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 25.76 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.244 . . . . 0.0 112.395 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.526 ' H ' ' C ' ' A' ' 75' ' ' LEU . 21.3 t -121.14 167.61 14.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.418 ' N ' ' CG1' ' A' ' 77' ' ' VAL . . . -107.54 -161.68 21.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 47.3 p -40.12 -45.36 1.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.361 . . . . 0.0 111.142 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 35.2 m -86.48 92.74 8.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -91.85 139.55 30.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.07 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.3 m -123.92 117.93 25.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.181 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.1 mt -114.1 140.66 48.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.56 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 75.0 m-85 -105.58 138.56 41.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.585 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -100.17 138.48 37.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.457 ' HG3' ' CD1' ' A' ' 88' ' ' LEU . 13.5 tpt180 -133.05 134.8 44.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.15 120.36 23.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.457 ' CD1' ' HG3' ' A' ' 86' ' ' ARG . 7.8 mp . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -149.33 177.0 10.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.903 0.382 . . . . 0.0 110.883 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.8 m -113.5 -52.91 2.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.17 169.25 43.25 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.502 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 m -82.58 136.82 34.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.373 . . . . 0.0 110.905 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 m -89.59 -49.38 6.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.53 -125.37 5.29 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.41 148.0 49.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.884 0.373 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -115.58 45.03 1.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.7 m80 -55.2 -175.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.8 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 2.9 m-85 -101.41 142.94 32.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -102.78 109.95 21.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 98.5 t -119.12 124.56 73.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -113.82 100.28 8.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.0 mt -74.78 99.23 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.0 mt -97.97 169.88 9.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.938 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -88.13 157.32 18.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.0 -4.76 58.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -114.29 -74.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.0 p -79.92 -12.07 59.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.5 mtm105 47.99 52.35 13.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -105.89 137.99 42.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -55.72 104.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.7 mt -92.24 -29.77 16.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.931 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -163.69 143.27 8.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -129.71 102.98 6.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.1 mt -99.93 103.31 14.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -98.48 6.67 47.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -121.25 39.87 3.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.502 ' CG1' ' CD1' ' A' ' 72' ' ' LEU . 14.2 t -96.61 143.3 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.112 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -83.08 148.31 56.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.563 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.7 Cg_endo -69.77 -29.68 23.45 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.718 2.279 . . . . 0.0 112.377 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -86.18 -9.4 56.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.31 135.73 57.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.5 p -93.23 159.36 15.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.465 ' CG2' ' HE3' ' A' ' 40' ' ' LYS . 45.4 mm -46.34 -42.9 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.23 -53.57 16.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -58.29 -40.9 83.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.8 mm -52.87 -55.49 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.465 ' HE3' ' CG2' ' A' ' 36' ' ' ILE . 41.3 mttt -49.43 -47.1 48.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -52.12 -51.82 55.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.4 mt -46.68 -62.55 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.433 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 5.6 t80 -48.15 -30.53 4.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.4 m -69.79 -40.65 75.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -38.66 -61.02 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.1 m -61.31 -60.14 4.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.189 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -100.8 99.06 9.38 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.61 0.719 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -42.0 3.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.758 2.305 . . . . 0.0 112.349 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -50.46 -33.94 22.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.405 ' CE3' ' CE1' ' A' ' 43' ' ' PHE . 18.1 m0 -81.96 115.56 21.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.472 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -97.44 159.6 30.77 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.672 0.748 . . . . 0.0 110.909 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -28.78 24.46 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.63 2.22 . . . . 0.0 112.35 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.42 -30.84 71.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.089 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.492 ' O ' ' CD2' ' A' ' 88' ' ' LEU . 7.2 ttm180 -90.6 -42.83 10.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -64.54 139.64 58.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.9 t -130.73 126.64 36.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.4 mt -105.6 138.13 42.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.951 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -146.02 136.67 24.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.7 mt -62.46 -22.2 66.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -147.62 150.74 37.58 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.572 0.701 . . . . 0.0 110.895 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.546 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.8 Cg_endo -69.74 -11.48 30.95 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.01 18.86 8.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -97.99 -125.89 5.33 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -137.29 -176.87 4.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.808 0.337 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.4 p -80.11 137.25 36.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.0 mt -80.95 161.46 24.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -133.4 150.52 51.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 70' ' ' ASP . 0.9 OUTLIER -44.08 -50.26 8.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' ASP . 8.4 pt-20 -34.88 -34.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' ASP . 42.9 m-20 -67.8 143.95 55.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.2 t -129.93 153.22 38.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.502 ' CD1' ' CG1' ' A' ' 30' ' ' VAL . 17.6 mt -63.89 -12.2 34.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -111.02 -15.4 13.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -97.2 -29.04 13.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.524 ' C ' ' H ' ' A' ' 77' ' ' VAL . 0.4 OUTLIER -59.67 155.48 39.68 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.619 0.723 . . . . 0.0 110.917 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 25.34 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.342 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.524 ' H ' ' C ' ' A' ' 75' ' ' LEU . 3.7 t -120.67 170.81 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 79' ' ' THR . . . -110.51 -165.43 19.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 78' ' ' GLY . 36.3 p -34.77 -51.36 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 111.138 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.2 m -88.14 98.77 11.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -98.93 151.51 20.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.093 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.4 m -127.53 129.34 47.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.158 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 32.2 mt -122.25 141.96 50.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.546 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 73.7 m-85 -107.07 134.97 49.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.509 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -97.75 145.34 26.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.474 ' O ' ' CD2' ' A' ' 88' ' ' LEU . 8.2 tpt180 -137.23 123.53 20.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -73.56 134.88 43.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 54' ' ' ARG . 2.5 mm? . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -150.8 123.37 8.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 110.837 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -56.05 -49.09 74.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.65 163.38 37.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.451 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.0 p 45.09 42.71 6.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.881 0.372 . . . . 0.0 110.873 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.6 p -168.72 137.45 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.04 136.49 3.31 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.6 tpt -108.54 151.59 25.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.794 0.331 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -91.68 79.55 5.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.427 ' CG ' ' HA ' ' A' ' 29' ' ' LYS . 12.3 m80 -133.72 179.52 6.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.538 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.5 m-85 -97.91 144.23 27.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -103.42 109.86 21.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.5 t -119.46 116.52 51.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -109.72 101.5 10.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.5 mt -74.92 98.49 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.8 mt -97.77 167.59 10.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -85.74 157.53 20.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.29 -2.24 57.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.9 ttmt -119.42 -66.16 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.9 p -87.82 -3.94 58.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 mtm-85 42.33 33.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -84.2 139.83 32.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -60.59 109.55 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.0 mt -91.68 -44.08 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.8 t -153.75 153.97 33.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -135.37 107.14 7.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.3 mt -107.69 106.02 16.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -100.44 2.3 42.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.427 ' HA ' ' CG ' ' A' ' 10' ' ' HIS . 1.7 mppt? -118.48 40.87 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.2 t -95.66 147.07 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -85.54 147.35 46.43 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.668 0.747 . . . . 0.0 110.842 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.538 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.8 -30.76 21.59 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.734 2.289 . . . . 0.0 112.315 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -83.12 -8.41 59.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.42 127.27 30.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.5 p -89.09 153.39 21.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.424 ' CG2' ' HE3' ' A' ' 40' ' ' LYS . 45.7 mm -42.9 -38.27 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.48 -44.79 72.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.11 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -69.4 -41.85 75.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 45.0 mm -50.24 -43.22 21.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.424 ' HE3' ' CG2' ' A' ' 36' ' ' ILE . 2.1 mptm? -57.59 -46.37 84.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -53.87 -54.94 31.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.4 mt -43.13 -49.22 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.503 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 5.4 t80 -63.31 -40.89 98.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.4 m -62.83 -37.26 86.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.206 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -39.05 -65.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.4 m -61.01 -56.44 21.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 10.2 m170 -103.06 95.84 7.18 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.572 0.701 . . . . 0.0 110.832 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 54.2 Cg_endo -69.76 -38.35 7.91 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.642 2.228 . . . . 0.0 112.368 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -56.93 -32.08 65.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 17.9 m0 -83.93 93.0 7.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -73.64 159.78 83.71 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.674 0.75 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -39.67 6.11 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.285 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -45.95 -23.45 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.8 ttt85 -103.27 -37.46 7.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.503 ' OE1' ' CD1' ' A' ' 43' ' ' PHE . 32.0 mt-30 -64.56 79.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 m -81.1 117.48 21.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.1 mt -102.2 144.65 30.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -149.94 140.27 22.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.442 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 6.7 mt -59.23 -10.69 3.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.49 ' HA ' ' CD2' ' A' ' 84' ' ' TYR . 8.1 m-20 -169.26 151.25 4.54 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.576 0.703 . . . . 0.0 110.901 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.565 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.4 Cg_endo -69.75 -4.35 13.84 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.327 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -127.96 24.49 6.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -114.81 -136.94 6.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.446 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.4 ' HD3' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -122.64 154.75 37.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 110.895 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.3 p -63.72 119.49 10.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.6 mt -59.16 159.91 6.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -129.2 157.78 40.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -48.6 -48.22 39.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -40.0 -36.48 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -63.53 148.57 48.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.7 t -133.85 152.02 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.5 mt -63.74 -9.3 13.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -112.44 -22.94 10.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -89.82 -29.39 18.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.522 ' C ' ' H ' ' A' ' 77' ' ' VAL . 0.3 OUTLIER -59.13 154.86 37.72 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.611 0.719 . . . . 0.0 110.896 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 24.8 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.723 2.282 . . . . 0.0 112.321 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.522 ' H ' ' C ' ' A' ' 75' ' ' LEU . 5.8 t -118.65 169.87 8.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 79' ' ' THR . . . -109.01 -166.65 20.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 78' ' ' GLY . 20.3 p -36.32 -42.8 0.34 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.864 0.364 . . . . 0.0 111.155 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 63.5 m -94.2 98.14 10.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.95 152.36 19.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.0 m -130.98 126.4 35.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 46.9 mt -115.01 150.24 36.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 65.8 m-85 -117.26 133.24 56.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.521 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 2.4 t80 -94.42 131.1 40.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -124.64 128.37 48.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.76 128.17 35.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 t -82.36 -59.21 2.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.909 0.385 . . . . 0.0 110.844 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 p -81.09 120.44 24.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.31 -151.5 9.37 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.0 m -118.1 159.72 22.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.898 0.38 . . . . 0.0 110.844 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -84.48 152.11 24.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.06 125.99 0.87 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -128.39 132.83 48.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.3 pttt -100.09 42.17 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.471 ' CG ' ' HA ' ' A' ' 29' ' ' LYS . 12.3 m80 -132.52 179.32 6.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.538 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 4.5 m-85 -97.83 136.56 37.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -100.03 109.93 22.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.5 t -116.14 116.17 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -102.49 95.99 6.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.2 mt -75.17 98.57 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.127 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.8 mt -97.95 168.76 10.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -83.77 157.19 22.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 85' ' ' PHE . . . -89.49 -1.12 57.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.3 tptp -122.54 -63.51 1.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.3 p -87.3 -7.1 58.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.9 mtt85 42.24 51.18 4.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -106.25 142.29 36.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.85 101.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.5 mt -89.14 -35.27 16.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.8 t -156.24 141.58 17.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -128.49 100.71 5.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.2 mt -99.95 100.36 11.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -97.24 13.48 29.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.471 ' HA ' ' CG ' ' A' ' 10' ' ' HIS . 3.1 mppt? -130.44 38.78 3.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.7 t -93.64 150.33 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -88.34 147.96 41.34 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.665 0.745 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.538 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.7 -34.8 14.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.718 2.279 . . . . 0.0 112.341 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -79.05 -6.84 57.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.08 132.28 48.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.9 p -93.47 151.52 19.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.161 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.3 mm -38.99 -37.7 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.102 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.4 -46.76 76.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -62.87 -45.48 92.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.5 mm -47.48 -47.54 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -58.01 -44.44 87.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -53.89 -51.34 64.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.421 HD23 ' NZ ' ' A' ' 45' ' ' LYS . 10.2 mt -51.07 -55.11 19.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.949 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.601 ' CE1' ' OE1' ' A' ' 55' ' ' GLN . 8.3 t80 -51.27 -29.03 13.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.93 -43.28 45.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.172 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.421 ' NZ ' HD23 ' A' ' 42' ' ' LEU . 20.6 mtmm -38.01 -53.98 1.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.6 m -70.8 -54.24 12.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -105.51 95.95 11.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.631 0.729 . . . . 0.0 110.865 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -33.24 16.99 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.686 2.257 . . . . 0.0 112.324 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -61.77 -31.28 71.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 14.5 m0 -85.78 113.41 21.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.568 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.5 OUTLIER -91.27 160.58 36.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.681 0.753 . . . . 0.0 110.928 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -28.38 25.17 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.08 -26.06 67.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.568 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 26.0 ttt180 -91.24 -54.36 3.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.601 ' OE1' ' CE1' ' A' ' 43' ' ' PHE . 36.4 mt-30 -59.54 116.88 4.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 t -115.19 108.95 17.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 22.6 mt -86.75 142.39 28.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -150.62 138.76 20.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.446 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 8.5 mt -57.53 -11.99 2.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.446 ' CG ' ' O ' ' A' ' 59' ' ' LEU . 9.7 m-20 -166.78 149.59 6.05 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.584 0.707 . . . . 0.0 110.876 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.555 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.75 -3.94 13.01 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.8 pttt -126.76 26.52 6.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -116.24 -125.73 3.83 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.546 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -141.08 154.57 46.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.802 0.335 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 84.2 p -58.13 129.87 43.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.4 mt -70.52 159.2 34.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -120.46 150.1 41.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 69' ' ' GLU . 5.3 p-10 -42.3 -50.18 5.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.846 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 68' ' ' ASP . 23.8 pt-20 -35.33 -41.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -62.21 146.13 51.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.464 HG23 ' CE ' ' A' ' 74' ' ' LYS . 9.8 t -132.48 154.86 40.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.454 ' N ' HG13 ' A' ' 71' ' ' VAL . 15.2 mt -66.69 -6.75 16.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -113.6 -20.02 11.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.464 ' CE ' HG23 ' A' ' 71' ' ' VAL . 16.7 mtmt -97.28 -26.46 14.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.521 ' C ' ' H ' ' A' ' 77' ' ' VAL . 0.4 OUTLIER -58.67 155.24 31.06 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.583 0.706 . . . . 0.0 110.923 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 25.35 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.643 2.229 . . . . 0.0 112.295 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.521 ' H ' ' C ' ' A' ' 75' ' ' LEU . 5.3 t -120.22 170.21 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.402 ' H ' ' CG1' ' A' ' 77' ' ' VAL . . . -109.35 -163.9 20.03 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.2 p -38.35 -42.14 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.359 . . . . 0.0 111.128 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.1 m -95.04 98.96 11.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.79 151.07 20.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 65.4 m -129.24 130.02 45.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 21.4 mt -121.48 147.66 45.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.555 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 72.2 m-85 -115.14 131.4 56.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.615 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.1 OUTLIER -95.15 152.48 18.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.883 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.472 ' N ' ' CD1' ' A' ' 85' ' ' PHE . 8.0 tpt180 -135.67 134.01 38.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -82.11 116.08 21.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.7 p -104.5 168.28 9.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.896 0.379 . . . . 0.0 110.838 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 t -82.34 167.59 18.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.19 161.59 34.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.525 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -112.94 82.04 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.835 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.4 p -71.49 119.84 16.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.7 -117.01 0.4 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.3 mmt -65.11 124.57 22.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.871 0.367 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -114.76 93.3 4.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -133.53 176.86 8.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.544 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 4.0 m-85 -87.56 137.63 32.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -99.58 110.34 22.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.3 t -120.0 116.31 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.095 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.7 pm0 -107.61 102.59 11.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.5 mt -76.22 105.81 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.3 mt -107.15 174.4 5.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -90.81 157.54 17.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.44 0.37 56.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -120.01 -69.12 0.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.459 ' CG2' ' HG2' ' A' ' 22' ' ' GLU . 5.1 t -90.03 -2.81 58.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.138 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.8 mtt85 44.06 25.71 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.459 ' HG2' ' CG2' ' A' ' 20' ' ' THR . 13.0 pt-20 -71.0 131.41 43.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -53.34 115.67 2.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.0 mt -99.39 -46.33 5.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.0 t -153.31 150.92 29.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -132.54 108.03 8.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.7 mt -108.27 100.89 10.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.4 p30 -98.26 15.2 25.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -130.38 42.22 3.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.8 t -97.96 150.02 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -88.4 148.57 42.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.595 0.712 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.544 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.7 Cg_endo -69.78 -39.78 6.08 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.339 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -75.44 -6.63 51.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.75 132.09 48.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.0 p -93.57 157.63 16.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.428 ' CG2' ' HE3' ' A' ' 40' ' ' LYS . 27.6 mm -44.57 -41.17 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.1 -47.72 61.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.6 -50.48 69.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.4 mm -42.49 -49.05 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.428 ' HE3' ' CG2' ' A' ' 36' ' ' ILE . 1.9 mptm? -53.28 -45.41 68.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -57.79 -53.11 61.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.2 mt -44.83 -48.82 11.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -62.09 -42.58 99.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 45' ' ' LYS . 3.3 m -56.84 -41.87 78.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 44' ' ' THR . 30.8 mtpt -34.9 -66.3 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 40.8 m -62.97 -52.19 63.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -108.03 93.66 11.35 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.538 0.685 . . . . 0.0 110.836 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -41.45 4.24 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.718 2.279 . . . . 0.0 112.34 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -49.35 -33.12 12.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 15.2 m0 -84.83 99.06 10.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -77.99 160.38 73.95 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.65 0.738 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -30.33 22.49 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.269 . . . . 0.0 112.348 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.36 -24.21 59.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -100.56 -58.27 1.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -46.04 106.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 t -103.16 137.92 40.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.405 ' C ' ' HG3' ' A' ' 58' ' ' ARG . 82.3 mt -120.54 144.28 48.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.405 ' HG3' ' C ' ' A' ' 57' ' ' LEU . 5.4 mtt-85 -144.91 138.66 27.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.3 mt -63.09 -18.2 63.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -154.76 152.96 26.86 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.618 0.723 . . . . 0.0 110.87 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.544 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 54.0 Cg_endo -69.75 -15.47 37.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 0.0 112.346 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -123.72 31.36 5.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -113.69 -122.54 3.84 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.481 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -142.14 179.96 6.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.77 0.319 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.7 p -78.61 139.82 38.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.7 mt -82.64 159.13 22.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -128.1 152.47 47.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.945 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -42.87 -49.87 5.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.833 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 68' ' ' ASP . 11.8 pt-20 -36.31 -35.49 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -66.58 144.32 56.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.8 t -132.65 151.3 34.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.6 -12.32 22.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.951 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -110.92 -12.65 14.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.1 mmtt -99.82 -29.04 12.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.959 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.526 ' C ' ' H ' ' A' ' 77' ' ' VAL . 0.4 OUTLIER -60.24 155.34 46.87 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.606 0.717 . . . . 0.0 110.916 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 25.31 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.649 2.233 . . . . 0.0 112.325 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.526 ' H ' ' C ' ' A' ' 75' ' ' LEU . 4.4 t -120.87 170.74 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -111.57 -161.42 16.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.472 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.9 p -41.31 -41.79 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.921 0.391 . . . . 0.0 111.161 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.3 m -94.08 91.17 6.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.427 ' HA ' ' CG1' ' A' ' 77' ' ' VAL . . . -94.41 150.11 20.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.5 m -127.42 121.45 30.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.16 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 17.8 mt -117.19 135.68 53.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.544 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 96.8 m-85 -101.82 141.4 34.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.554 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.6 OUTLIER -95.72 134.25 38.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -128.96 135.72 49.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -67.76 112.63 4.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.1 tp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -117.35 -45.43 2.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 110.852 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -61.42 132.25 52.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.95 72.69 0.29 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.465 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -70.36 116.71 11.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.91 0.386 . . . . 0.0 110.833 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.6 p -140.03 169.11 18.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.826 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.66 -103.64 0.17 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.491 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -106.81 103.66 13.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.6 tttp -128.83 86.67 2.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.601 ' CD2' ' O ' ' A' ' 30' ' ' VAL . 1.0 OUTLIER -73.93 -174.63 1.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.525 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 6.8 m-85 -59.92 131.11 49.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 18.3 mp0 -97.22 109.95 22.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.429 ' CG2' HG21 ' A' ' 30' ' ' VAL . 46.9 t -117.44 111.62 35.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.142 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -112.22 109.54 19.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 98.1 mt -82.71 98.02 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.1 mt -94.29 167.52 11.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -84.54 153.09 23.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.79 6.59 43.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -127.71 -56.79 1.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.5 p -95.56 -11.3 27.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 48.21 49.54 17.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -107.06 139.99 40.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -57.72 109.74 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.4 mt -98.24 -37.06 9.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.8 t -152.31 128.51 10.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -116.29 110.97 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.7 mt -111.96 99.8 8.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -89.84 8.89 29.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -133.06 62.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.601 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 7.4 t -106.57 146.31 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -83.12 142.42 44.22 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.62 0.724 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.525 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.79 -30.08 22.72 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.667 2.244 . . . . 0.0 112.376 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -87.45 -7.53 57.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.95 126.66 29.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.091 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.9 p -86.81 164.51 16.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.101 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.425 ' CG2' ' HE3' ' A' ' 40' ' ' LYS . 26.8 mm -48.96 -39.57 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.96 -44.64 70.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -67.99 -44.11 77.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.3 mm -47.75 -51.77 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.425 ' HE3' ' CG2' ' A' ' 36' ' ' ILE . 2.0 mptm? -51.08 -47.36 61.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -54.69 -57.76 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.2 mt -40.4 -39.76 1.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.565 ' CE1' ' OE1' ' A' ' 55' ' ' GLN . 4.9 t80 -70.96 -52.45 19.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 45' ' ' LYS . 6.8 m -45.67 -40.9 9.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.125 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 44' ' ' THR . 22.8 mtmt -34.99 -67.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.565 HG23 ' CD2' ' A' ' 47' ' ' HIS . 1.1 t -58.49 -47.21 84.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.13 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.565 ' CD2' HG23 ' A' ' 46' ' ' THR . 61.0 m170 -114.48 94.55 36.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.531 0.682 . . . . 0.0 110.833 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -27.75 26.0 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 -67.66 -27.0 66.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -87.47 85.66 7.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -64.95 159.91 60.16 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.699 0.761 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -40.24 5.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -45.85 -27.86 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.8 ttt85 -98.51 -55.6 2.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.565 ' OE1' ' CE1' ' A' ' 43' ' ' PHE . 31.5 mt-30 -49.92 94.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 m -90.74 141.15 29.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 80.7 mt -124.92 141.55 52.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -146.46 161.11 41.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.448 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 4.9 mt -79.19 -6.85 57.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 59' ' ' LEU . 8.4 m-20 -173.39 147.73 1.46 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.568 0.699 . . . . 0.0 110.89 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.556 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.8 Cg_endo -69.73 -3.74 12.59 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.71 2.273 . . . . 0.0 112.372 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -124.8 22.13 8.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -114.96 -142.13 7.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.77 145.36 49.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.733 0.301 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 90.1 p -44.96 141.34 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.432 HD22 ' CG ' ' A' ' 59' ' ' LEU . 10.5 mt -81.32 160.48 24.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -116.46 153.96 31.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.43 -32.67 65.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.831 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -55.46 -21.89 18.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.426 ' OD2' ' CD2' ' A' ' 66' ' ' LEU . 65.1 m-20 -70.93 156.76 39.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 72' ' ' LEU . 7.5 t -145.15 156.44 13.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.461 HD12 ' CG1' ' A' ' 30' ' ' VAL . 10.6 mt -68.21 -10.41 54.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -109.86 -11.36 14.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -107.16 -25.16 11.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.521 ' C ' ' H ' ' A' ' 77' ' ' VAL . 0.3 OUTLIER -62.46 154.39 72.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.72 . . . . 0.0 110.904 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 24.98 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.521 ' H ' ' C ' ' A' ' 75' ' ' LEU . 5.1 t -118.33 170.04 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.176 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 79' ' ' THR . . . -108.15 -167.32 21.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.449 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 78' ' ' GLY . 13.1 p -34.06 -42.47 0.13 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.897 0.38 . . . . 0.0 111.155 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.6 m -96.01 105.48 17.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.12 146.56 24.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 50.3 m -127.04 115.08 18.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 88.8 mt -108.19 154.99 20.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.556 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 64.5 m-85 -118.56 137.38 53.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 1.5 t80 -94.67 130.08 41.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -121.47 121.38 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -68.51 126.09 28.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.9 p -84.97 171.78 11.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.918 0.39 . . . . 0.0 110.818 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.7 m -112.08 -57.07 2.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.52 129.91 1.21 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 p -70.1 -49.48 50.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.925 0.393 . . . . 0.0 110.851 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.0 m -54.55 -58.99 5.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.24 172.99 13.46 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -117.06 74.41 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -90.99 81.91 5.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -135.27 176.11 8.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.556 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -92.87 138.16 31.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -100.43 110.05 22.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.1 t -117.82 120.06 63.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -109.15 104.86 14.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.9 mt -78.92 98.34 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.9 mt -97.77 169.54 9.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -86.98 153.72 21.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.99 6.7 41.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -125.64 -62.3 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.5 p -93.64 -6.28 46.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.8 mtm-85 44.74 47.59 8.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.823 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -100.76 142.29 32.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.72 111.13 2.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.3 mt -97.72 -33.83 11.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.0 t -160.74 144.56 13.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -127.67 107.78 10.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.3 mt -104.57 96.15 6.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -97.0 20.82 10.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -133.63 34.43 3.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.1 t -93.48 146.13 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -85.06 152.41 58.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.671 0.748 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.556 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 54.2 Cg_endo -69.69 -38.34 8.09 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.714 2.276 . . . . 0.0 112.366 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.1 p-80 -78.45 -8.11 58.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.79 128.55 36.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 36' ' ' ILE . 72.5 p -91.64 148.26 22.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.206 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 35' ' ' THR . 29.5 mm -35.43 -42.14 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.135 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.81 -52.26 19.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -62.95 -34.16 76.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 33.0 mm -55.64 -61.86 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.427 ' NZ ' HG23 ' A' ' 36' ' ' ILE . 4.3 mppt? -44.64 -46.55 10.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -54.56 -54.94 34.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.5 mt -46.12 -45.12 16.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 4.7 t80 -66.68 -32.35 73.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 45' ' ' LYS . 18.1 m -67.33 -41.24 85.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 44' ' ' THR . 35.7 mtmt -35.07 -69.15 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.533 HG21 ' CE1' ' A' ' 47' ' ' HIS . 48.2 m -54.22 -53.45 53.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.533 ' CE1' HG21 ' A' ' 46' ' ' THR . 24.8 m-70 -109.51 96.65 23.74 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.594 0.712 . . . . 0.0 110.878 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 54.1 Cg_endo -69.73 -38.97 7.13 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.71 2.274 . . . . 0.0 112.347 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -53.62 -33.29 54.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -83.72 110.5 18.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.513 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -92.17 161.93 31.71 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.72 0.771 . . . . 0.0 110.896 -179.861 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -26.24 27.66 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.99 -14.13 5.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.513 ' HD2' ' CZ ' ' A' ' 51' ' ' TYR . 37.6 mtt180 -106.93 -62.32 1.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' ARG . 70.5 mt-30 -38.15 109.19 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.8 t -102.52 104.08 14.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.414 ' C ' ' HG3' ' A' ' 58' ' ' ARG . 84.0 mt -88.84 141.23 28.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.414 ' HG3' ' C ' ' A' ' 57' ' ' LEU . 4.4 mtt180 -152.77 129.43 10.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.8 mt -55.05 -20.02 8.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -148.67 151.36 35.53 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.658 0.742 . . . . 0.0 110.857 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.547 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 54.2 Cg_endo -69.78 -12.2 32.37 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.404 ' HD3' ' C ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -124.59 21.67 8.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -102.21 -130.65 7.08 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.503 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -133.94 178.13 7.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.753 0.311 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.9 p -76.16 136.55 39.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.4 mt -81.56 159.53 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -122.38 160.54 25.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -53.92 -44.65 70.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -41.42 -31.39 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -66.88 143.31 56.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.0 t -128.25 151.74 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.5 mt -64.07 -10.16 20.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -112.38 -22.12 11.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -90.12 -29.8 18.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.521 ' C ' ' H ' ' A' ' 77' ' ' VAL . 0.4 OUTLIER -58.62 155.23 30.66 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.609 0.719 . . . . 0.0 110.947 179.888 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 25.46 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.697 2.264 . . . . 0.0 112.287 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.521 ' H ' ' C ' ' A' ' 75' ' ' LEU . 8.1 t -120.07 169.39 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 79' ' ' THR . . . -109.25 -167.1 20.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.509 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 78' ' ' GLY . 17.4 p -35.15 -47.92 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 111.13 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.2 m -89.33 95.68 10.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.43 147.75 23.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.058 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.9 m -126.61 130.32 50.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 63.0 mt -123.46 143.61 50.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.547 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 87.4 m-85 -109.58 133.69 52.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.566 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.6 OUTLIER -99.62 139.81 34.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.5 tpp85 -130.61 119.18 22.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.416 ' C ' HD11 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -64.47 131.92 48.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.416 HD11 ' C ' ' A' ' 87' ' ' ASP . 8.8 mp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -37.85 141.51 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 110.913 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.2 m -156.81 163.93 38.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.835 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.2 -42.45 8.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.449 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.0 m -38.18 149.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.377 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.8 m -64.92 158.9 24.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.97 -60.73 5.06 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.451 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -56.76 133.81 54.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.83 0.348 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.5 mttp -120.98 96.15 4.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -107.03 177.0 4.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.538 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 4.3 m-85 -94.11 143.53 26.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -105.49 110.06 22.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 74.2 t -117.08 105.69 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -98.23 102.55 14.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.7 mt -78.02 98.5 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.17 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.2 mt -100.07 171.47 7.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 18' ' ' ALA . 19.5 t0 -88.04 157.35 18.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.817 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.434 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . -87.11 -0.52 56.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.079 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -118.56 -75.35 0.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.952 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.471 HG22 ' CG ' ' A' ' 22' ' ' GLU . 9.0 t -78.82 -18.77 53.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.198 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.0 mtm180 60.32 28.97 18.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.471 ' CG ' HG22 ' A' ' 20' ' ' THR . 71.2 mt-10 -75.26 139.89 42.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -63.72 107.03 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.8 mt -92.26 -43.24 9.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t -151.42 145.53 25.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -132.89 99.23 4.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.7 mt -97.89 105.02 17.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.97 8.73 43.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -125.96 46.14 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.448 ' CG1' ' CD1' ' A' ' 72' ' ' LEU . 60.8 t -102.06 148.35 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -85.36 146.68 45.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.637 0.732 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.538 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.75 -34.84 13.81 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.645 2.23 . . . . 0.0 112.35 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.458 ' HA ' ' NE2' ' A' ' 73' ' ' GLN . 12.7 p-80 -82.3 1.11 38.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.67 131.28 42.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.6 p -89.8 155.1 19.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.191 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.0 mm -44.51 -41.07 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.11 -45.63 53.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -65.66 -47.08 76.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 38.4 mm -46.51 -49.68 5.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.98 -47.47 61.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -54.36 -56.57 17.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.7 mt -41.13 -56.97 2.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -54.81 -39.48 68.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.2 m -63.32 -39.42 94.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -37.28 -65.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.6 m -59.1 -60.94 3.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.186 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 36.8 m80 -102.44 96.9 7.89 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.606 0.717 . . . . 0.0 110.845 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.6 Cg_endo -69.8 -39.06 6.88 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.343 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -51.15 -30.77 17.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.4 ' N ' ' CD1' ' A' ' 50' ' ' TRP . 15.7 m0 -87.28 110.18 20.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.5 OUTLIER -88.47 161.19 43.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.681 0.753 . . . . 0.0 110.904 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -29.35 24.05 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.89 -25.44 65.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.571 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 25.5 ttt180 -93.25 -64.25 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -42.15 110.19 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.2 t -101.73 121.36 41.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 92.8 mt -105.92 148.42 27.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -156.69 135.85 12.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.7 mt -59.6 -15.6 19.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -158.07 150.63 17.93 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.604 0.716 . . . . 0.0 110.847 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.543 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.5 Cg_endo -69.8 -9.57 26.41 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.333 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -129.42 30.6 4.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -116.05 -122.27 3.43 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -138.17 174.35 10.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.5 t -79.39 141.05 37.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.0 mt -80.98 158.33 25.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -125.39 159.59 31.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -51.79 -38.74 56.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -47.33 -36.53 9.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.72 151.11 47.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.452 ' CG2' ' HE2' ' A' ' 74' ' ' LYS . 5.8 t -137.96 155.54 30.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.448 ' CD1' ' CG1' ' A' ' 30' ' ' VAL . 16.2 mt -67.33 -8.5 32.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.458 ' NE2' ' HA ' ' A' ' 33' ' ' HIS . 18.4 pt20 -113.31 -14.11 12.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.452 ' HE2' ' CG2' ' A' ' 71' ' ' VAL . 30.2 mtmt -103.45 -25.56 13.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.526 ' C ' ' H ' ' A' ' 77' ' ' VAL . 0.3 OUTLIER -59.94 154.84 46.63 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.606 0.717 . . . . 0.0 110.911 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 24.94 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.665 2.244 . . . . 0.0 112.339 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.526 ' H ' ' C ' ' A' ' 75' ' ' LEU . 6.1 t -118.88 169.86 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 79' ' ' THR . . . -110.54 -166.31 19.22 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 78' ' ' GLY . 6.6 p -36.03 -43.38 0.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 111.164 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 28.3 m -92.48 97.08 10.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.1 145.45 25.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.2 m -130.17 129.33 43.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 21.0 mt -121.64 138.58 54.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.543 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 90.6 m-85 -101.37 139.28 37.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 1.5 t80 -98.99 129.68 45.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.428 ' HG3' ' CD1' ' A' ' 88' ' ' LEU . 4.5 tpt180 -122.74 137.28 54.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.46 120.19 18.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.428 ' CD1' ' HG3' ' A' ' 86' ' ' ARG . 9.9 mp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -126.71 54.1 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.934 0.397 . . . . 0.0 110.899 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 m 53.07 44.9 29.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.24 -87.39 0.22 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.542 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.4 m -148.17 121.68 9.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 m -51.95 120.48 5.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.67 122.67 2.88 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.94 169.97 12.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.802 0.334 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -122.36 91.6 3.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -73.78 175.39 7.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.824 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.8 m-85 -91.78 146.59 23.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -106.44 110.05 22.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.43 ' CG1' HD11 ' A' ' 83' ' ' LEU . 95.9 t -119.44 113.03 39.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -106.63 103.26 12.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 92.6 mt -78.19 99.04 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.0 mt -98.33 169.52 9.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -83.64 157.29 22.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.17 -4.97 58.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.065 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -115.57 -72.65 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.2 p -78.87 -13.87 59.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 49.85 51.44 16.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -105.06 144.89 31.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -60.9 108.39 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.6 mt -96.4 -39.9 9.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t -153.5 137.79 16.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -124.2 108.88 12.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.7 mt -108.73 93.93 4.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -90.41 10.5 24.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -125.88 41.72 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.4 t -96.86 147.43 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -85.44 149.19 51.37 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.665 0.745 . . . . 0.0 110.839 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.567 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.83 -32.21 18.73 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.334 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -82.14 -13.33 57.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.828 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.44 124.7 20.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.5 p -85.85 164.74 17.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.45 ' CG1' ' HB2' ' A' ' 70' ' ' ASP . 42.6 mm -51.02 -42.56 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.04 -47.64 53.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -63.58 -47.91 79.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 40.5 mm -46.16 -47.78 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.104 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.442 ' NZ ' ' O ' ' A' ' 55' ' ' GLN . 16.1 mttm -56.19 -44.82 79.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -54.99 -53.47 55.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 45' ' ' LYS . 15.1 mt -45.19 -64.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.421 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 4.4 t80 -40.34 -34.83 0.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 45' ' ' LYS . 5.7 m -66.24 -41.72 89.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 42' ' ' LEU . 8.0 mtpm? -34.67 -63.72 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.1 m -59.89 -60.37 3.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 54.6 m-70 -105.52 99.5 21.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.562 0.696 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.6 Cg_endo -69.77 -43.36 2.7 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.734 2.289 . . . . 0.0 112.314 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -48.59 -36.82 16.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 18.0 m0 -80.89 82.13 6.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.62 162.14 5.23 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.661 0.743 . . . . 0.0 110.929 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -21.58 33.04 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.659 2.24 . . . . 0.0 112.338 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.81 -12.01 15.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 56' ' ' SER . 25.5 mtp180 -106.11 -55.44 2.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.442 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . 59.9 mt-30 -37.12 94.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.955 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 54' ' ' ARG . 36.9 m -98.12 106.94 19.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.8 mt -97.69 141.43 30.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -147.86 135.56 20.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 35.1 mt -57.98 -19.61 31.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -155.7 151.55 22.34 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.616 0.722 . . . . 0.0 110.851 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.502 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.8 Cg_endo -69.76 -5.5 16.37 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.325 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -126.35 22.0 7.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -108.17 -144.86 11.34 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.77 148.65 50.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.807 0.337 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.8 p -39.78 143.17 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.7 mt -83.13 155.49 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -110.38 146.02 36.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -48.81 -36.59 17.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.834 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -48.4 -32.59 7.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.45 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 4.4 m-20 -62.63 150.86 39.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -137.62 152.24 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.166 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.6 mt -64.67 -12.91 51.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -110.29 -14.22 14.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.0 mmtt -98.78 -28.5 13.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.523 ' C ' ' H ' ' A' ' 77' ' ' VAL . 0.4 OUTLIER -59.25 155.46 35.26 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.621 0.724 . . . . 0.0 110.906 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 25.25 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.523 ' H ' ' C ' ' A' ' 75' ' ' LEU . 6.6 t -119.44 168.09 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -102.8 -149.57 21.66 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.9 p -57.75 -25.57 60.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.857 0.36 . . . . 0.0 111.179 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 55.8 m -104.68 90.31 3.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -91.73 142.82 27.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.0 m -122.91 124.96 44.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.43 HD11 ' CG1' ' A' ' 13' ' ' VAL . 18.4 mt -117.91 141.78 48.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.502 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 87.8 m-85 -106.43 132.7 52.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 1.6 t80 -95.84 140.67 30.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -129.27 135.27 48.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -77.57 125.29 29.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.5 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.943 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.4 m80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.838 0.352 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -90.88 146.38 23.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.432 ' HG2' ' CG ' ' A' ' 28' ' ' ASP . 28.2 mt-10 -107.39 110.6 22.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.583 HG22 ' HB3' ' A' ' 81' ' ' ALA . 87.5 t -119.28 109.45 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 pm0 -100.34 101.5 12.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.9 mt -75.27 100.66 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 23' ' ' LYS . 35.0 mt -99.07 168.93 9.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -84.97 156.91 20.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.72 3.17 55.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.62 -64.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.3 p -89.74 -4.79 57.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 41.19 46.13 2.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -99.42 139.68 34.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.465 ' HA ' HD23 ' A' ' 16' ' ' LEU . 2.5 tppp? -58.32 113.13 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.1 mt -101.11 -40.08 7.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.5 t -153.71 142.89 21.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -126.0 111.53 14.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.8 mt -109.79 92.58 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.432 ' CG ' ' HG2' ' A' ' 12' ' ' GLU . 13.2 t0 -91.8 13.73 17.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -127.98 43.55 3.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.607 HG11 HD11 ' A' ' 72' ' ' LEU . 40.5 t -100.55 145.75 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.414 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 9.6 mm-40 -83.22 148.07 55.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.64 0.733 . . . . 0.0 110.854 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.565 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.73 -39.28 6.75 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.698 2.266 . . . . 0.0 112.35 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 -77.4 -8.53 57.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.414 ' HB2' ' HB2' ' A' ' 31' ' ' GLU . . . -64.23 129.59 40.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.474 HG22 HG22 ' A' ' 71' ' ' VAL . 76.5 p -85.41 154.67 21.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.655 HG22 ' NZ ' ' A' ' 40' ' ' LYS . 50.5 mm -41.79 -42.87 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.696 ' HB2' ' HB2' ' A' ' 68' ' ' ASP . . . -49.81 -50.78 43.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -58.59 -42.63 88.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.4 mm -46.44 -50.16 5.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.655 ' NZ ' HG22 ' A' ' 36' ' ' ILE . 1.3 mptt -53.61 -52.37 60.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -45.65 -48.9 14.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.1 mt -51.09 -63.37 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.437 ' CG ' ' OE1' ' A' ' 55' ' ' GLN . 9.3 t80 -44.69 -31.63 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 45' ' ' LYS . 1.8 m -67.6 -41.83 83.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 44' ' ' THR . 66.8 mttm -36.89 -68.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.5 m -56.9 -57.12 13.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -106.08 93.82 8.41 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.614 0.721 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -36.52 10.85 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.699 2.266 . . . . 0.0 112.394 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -54.63 -29.93 53.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 17.0 m0 -87.21 114.54 23.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.52 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -91.52 161.87 33.18 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.659 0.742 . . . . 0.0 110.946 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -30.86 21.49 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.88 -17.58 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.52 ' HD2' ' CZ ' ' A' ' 51' ' ' TYR . 36.4 mtt180 -103.73 -62.13 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.437 ' OE1' ' CG ' ' A' ' 43' ' ' PHE . 57.5 mt-30 -38.14 109.88 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.8 t -109.92 110.95 22.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.532 HD13 HD13 ' A' ' 83' ' ' LEU . 61.2 mt -94.57 144.37 25.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.426 ' HG3' ' C ' ' A' ' 57' ' ' LEU . 4.5 mtt-85 -149.27 131.82 15.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.1 mt -55.64 -24.66 34.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -148.7 153.05 38.88 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.606 0.717 . . . . 0.0 110.883 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.531 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.4 Cg_endo -69.79 -8.81 24.54 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.315 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -131.18 28.82 4.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -111.76 -122.12 4.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -138.76 177.26 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.4 p -78.68 135.61 37.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 mt -73.23 159.01 34.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -129.12 143.91 51.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.696 ' HB2' ' HB2' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -37.07 -46.41 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' ASP . 10.4 pt-20 -34.98 -46.45 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -62.09 147.85 46.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.474 HG22 HG22 ' A' ' 35' ' ' THR . 13.1 t -131.62 156.03 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.165 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.607 HD11 HG11 ' A' ' 30' ' ' VAL . 13.3 mt -64.23 -10.63 24.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.414 ' HG2' ' CG1' ' A' ' 71' ' ' VAL . 15.5 pt20 -112.01 -19.44 12.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -93.17 -28.94 15.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.866 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -59.46 154.9 41.08 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.731 . . . . 0.0 110.907 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 24.9 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.652 2.235 . . . . 0.0 112.327 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.832 HG11 ' HA ' ' A' ' 81' ' ' ALA . 3.9 t -119.13 170.88 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.639 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -107.57 -151.18 16.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 34.1 p -51.47 -39.2 57.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.367 . . . . 0.0 111.127 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.4 m -97.46 96.56 8.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.205 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.832 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -94.1 148.7 21.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.076 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.8 m -124.97 124.96 43.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.532 HD13 HD13 ' A' ' 57' ' ' LEU . 26.6 mt -119.47 141.52 49.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.531 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 83.3 m-85 -105.31 132.54 51.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.57 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 0.6 OUTLIER -97.25 145.83 25.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.0 m80 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.867 0.365 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.506 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 4.2 m-85 -92.05 139.64 30.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -102.75 110.09 21.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.1 t -117.81 120.68 65.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -113.03 106.31 14.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.7 mt -80.24 100.53 4.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.3 mt -98.16 169.78 9.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -87.3 156.65 19.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.98 3.39 54.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -124.72 -60.06 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.5 p -93.49 -6.97 45.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 43.93 47.68 7.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -102.13 141.93 34.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -64.12 110.32 2.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.3 mt -97.61 -30.94 12.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t -155.0 144.01 20.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.551 ' CE2' ' OD1' ' A' ' 28' ' ' ASP . 28.2 t80 -129.26 108.16 10.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.0 mt -109.91 102.36 11.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.551 ' OD1' ' CE2' ' A' ' 26' ' ' PHE . 7.4 m-20 -99.53 2.11 44.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -118.29 42.63 2.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.2 t -95.38 149.74 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -90.24 147.01 35.91 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.64 0.733 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.506 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.76 -30.91 21.54 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.702 2.268 . . . . 0.0 112.357 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -84.09 -5.66 59.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.0 126.77 30.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.465 HG22 HG22 ' A' ' 71' ' ' VAL . 81.3 p -85.8 157.06 20.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.5 mm -46.03 -42.06 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.07 -45.07 64.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.129 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -65.42 -43.19 91.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.4 mm -51.27 -52.44 19.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.431 ' HE2' HD12 ' A' ' 57' ' ' LEU . 22.8 mttm -51.66 -41.48 61.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 -59.89 -49.51 77.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.5 mt -47.98 -58.18 4.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -49.63 -31.53 11.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 45' ' ' LYS . 2.9 m -66.43 -41.88 88.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 44' ' ' THR . 37.5 mtpt -34.97 -69.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.1 m -58.74 -54.76 43.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.165 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 51.5 m-70 -104.96 91.77 4.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.642 0.734 . . . . 0.0 110.856 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -33.22 17.28 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.717 2.278 . . . . 0.0 112.369 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -57.07 -31.17 64.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -86.3 116.11 24.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.545 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.4 OUTLIER -95.29 159.79 32.09 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.683 0.754 . . . . 0.0 110.918 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -22.56 31.96 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.662 2.241 . . . . 0.0 112.375 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.26 -26.18 61.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.545 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 7.4 ttm180 -95.35 -35.92 11.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -72.45 132.07 43.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.6 t -119.7 125.45 48.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.431 HD12 ' HE2' ' A' ' 40' ' ' LYS . 93.0 mt -110.9 141.22 44.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -149.84 139.52 21.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.751 HD21 HD21 ' A' ' 66' ' ' LEU . 4.0 mt -62.2 -27.28 68.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.87 151.74 60.42 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.605 0.717 . . . . 0.0 110.876 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.502 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.5 Cg_endo -69.74 -15.3 37.1 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.335 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -124.84 22.72 8.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -101.91 -124.79 5.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.3 ptmm? -138.1 175.62 9.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 83.8 p -75.72 133.99 40.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.751 HD21 HD21 ' A' ' 59' ' ' LEU . 7.9 mt -72.26 154.74 40.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 67' ' ' LYS . 1.7 mppt? -117.83 149.64 40.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -48.88 -46.32 42.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -41.59 -35.16 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.45 145.5 55.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.465 HG22 HG22 ' A' ' 35' ' ' THR . 6.6 t -133.76 159.32 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.44 ' N ' HG12 ' A' ' 71' ' ' VAL . 12.2 mt -68.26 -11.21 59.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -113.03 -4.28 13.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.402 ' NZ ' HG21 ' A' ' 71' ' ' VAL . 20.7 mttp -114.05 -25.06 8.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.817 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -60.03 155.42 44.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.55 0.69 . . . . 0.0 110.984 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 25.46 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.676 2.251 . . . . 0.0 112.347 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.755 HG11 ' HA ' ' A' ' 81' ' ' ALA . 6.8 t -120.66 169.78 11.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.186 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.592 ' N ' HG12 ' A' ' 77' ' ' VAL . . . -103.62 -154.47 23.96 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.538 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.9 p -50.8 -45.23 59.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 111.12 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.6 m -91.35 93.89 9.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.755 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -93.72 141.35 28.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.9 m -122.15 128.91 51.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 30.3 mt -120.85 143.89 48.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.502 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 88.3 m-85 -106.01 137.91 43.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.541 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -95.0 142.97 26.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.929 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.2 m80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.758 0.313 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.546 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 4.4 m-85 -85.59 138.33 32.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -102.98 109.91 21.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.568 HG22 ' HB3' ' A' ' 81' ' ' ALA . 98.7 t -115.35 111.78 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.429 ' OE1' ' NZ ' ' A' ' 23' ' ' LYS . 5.5 pt-20 -104.5 99.57 9.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.7 mt -77.46 106.41 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.9 mt -102.75 172.5 6.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -90.21 157.11 17.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.02 2.81 56.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -121.38 -63.8 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.3 p -92.46 -9.4 41.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.0 mtm180 48.12 50.53 16.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -105.46 137.47 43.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.429 ' NZ ' ' OE1' ' A' ' 14' ' ' GLU . 4.3 tppt? -60.88 106.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.6 mt -94.86 -31.7 13.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t -151.68 132.35 13.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -122.74 106.33 10.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.3 mt -107.35 102.19 11.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 11.7 t0 -99.67 10.8 40.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -125.41 35.29 4.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.536 HG11 HD11 ' A' ' 72' ' ' LEU . 19.6 t -90.35 156.34 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.065 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' N ' HG12 ' A' ' 30' ' ' VAL . 39.0 mt-10 -96.5 149.23 35.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.546 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.74 -43.87 2.43 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.705 2.27 . . . . 0.0 112.373 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -72.43 -4.03 27.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.62 132.42 48.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.1 p -93.45 152.59 18.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.633 HG22 ' HE2' ' A' ' 40' ' ' LYS . 26.0 mm -41.19 -42.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.42 -46.83 56.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -66.01 -44.95 83.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.425 ' HA ' HD12 ' A' ' 42' ' ' LEU . 31.0 mm -50.22 -41.75 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.633 ' HE2' HG22 ' A' ' 36' ' ' ILE . 24.8 mttm -62.67 -41.68 99.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -57.01 -41.78 79.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.773 HD23 ' HE3' ' A' ' 45' ' ' LYS . 9.5 mt -57.78 -60.86 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.676 ' CE1' ' NE2' ' A' ' 55' ' ' GLN . 8.2 t80 -46.64 -35.01 5.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 45' ' ' LYS . 3.0 m -65.18 -44.47 88.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.773 ' HE3' HD23 ' A' ' 42' ' ' LEU . 7.9 mtmp? -34.45 -68.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.541 HG22 ' CD2' ' A' ' 47' ' ' HIS . 31.5 m -59.39 -55.34 35.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.541 ' CD2' HG22 ' A' ' 46' ' ' THR . 6.1 m170 -105.5 90.67 4.23 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.566 0.698 . . . . 0.0 110.891 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -31.25 21.3 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.678 2.252 . . . . 0.0 112.398 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -60.24 -30.55 69.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 16.3 m0 -87.17 97.48 10.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.488 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.9 OUTLIER -77.53 160.58 74.65 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.657 0.741 . . . . 0.0 110.94 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -24.85 28.97 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.36 -15.63 63.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.488 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 17.0 ttt85 -105.77 -50.67 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.676 ' NE2' ' CE1' ' A' ' 43' ' ' PHE . 42.1 mt-30 -53.97 121.52 8.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.0 t -111.49 115.48 29.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.464 HD12 ' HE2' ' A' ' 40' ' ' LYS . 65.8 mt -99.27 143.15 29.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -151.98 135.63 16.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.415 HD21 HD21 ' A' ' 66' ' ' LEU . 11.5 mt -56.31 -27.68 56.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -144.11 155.88 58.3 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.618 0.723 . . . . 0.0 110.831 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.485 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 53.4 Cg_endo -69.81 -6.49 18.76 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.71 2.273 . . . . 0.0 112.327 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.454 ' HE3' ' C ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -129.9 16.83 5.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -97.31 -121.26 4.16 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -148.0 175.9 10.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.75 0.31 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.9 t -72.74 137.31 45.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.415 HD21 HD21 ' A' ' 59' ' ' LEU . 5.7 mt -79.83 154.11 28.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -116.37 152.43 33.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.18 -40.55 16.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 70' ' ' ASP . 9.1 pt-20 -44.16 -39.14 4.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.4 ' N ' ' HG3' ' A' ' 69' ' ' GLU . 36.3 m-20 -62.98 148.32 47.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.0 t -134.62 155.26 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.536 HD11 HG11 ' A' ' 30' ' ' VAL . 12.3 mt -65.99 -8.8 24.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -113.56 -18.39 11.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -96.34 -27.42 14.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.855 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -58.71 155.1 32.23 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.704 . . . . 0.0 110.948 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 25.02 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.318 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.841 HG11 ' HA ' ' A' ' 81' ' ' ALA . 5.3 t -119.23 170.11 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.607 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -110.13 -165.31 19.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.536 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 78' ' ' GLY . 13.8 p -36.28 -43.19 0.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 111.138 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 89.3 m -94.36 97.95 10.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.841 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -94.86 145.27 25.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.069 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.8 m -128.0 123.32 34.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 46.6 mt -118.8 152.91 35.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.485 ' CE1' ' HD3' ' A' ' 61' ' ' PRO . 92.6 m-85 -115.46 132.33 56.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.508 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 0.6 OUTLIER -94.96 141.01 29.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.1 tpp85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.885 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.1 m80 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.808 0.337 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.537 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 4.3 m-85 -91.67 144.22 25.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -106.52 111.07 23.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.571 HG22 ' HB3' ' A' ' 81' ' ' ALA . 88.5 t -118.34 113.05 40.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -107.05 103.54 12.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 95.0 mt -79.15 101.25 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.569 HD23 ' HA ' ' A' ' 23' ' ' LYS . 15.9 mt -101.69 171.13 7.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -85.74 155.75 20.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.51 4.42 52.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.068 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -123.03 -65.01 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.7 p -90.73 -8.0 50.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 46.87 51.32 12.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -101.83 138.28 39.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.569 ' HA ' HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -58.29 105.87 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.3 mt -92.9 -38.39 11.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.405 ' HB2' ' CE2' ' A' ' 43' ' ' PHE . 1.8 t -153.64 148.87 26.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -135.78 105.92 6.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.0 mt -106.1 100.23 9.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 16.3 t0 -96.84 16.51 19.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -135.02 42.52 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.0 t -97.38 152.62 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -89.0 148.1 40.29 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.639 0.733 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.537 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.8 Cg_endo -69.74 -31.51 20.47 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.701 2.268 . . . . 0.0 112.327 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -82.4 -15.65 51.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.9 127.58 32.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.515 HG22 HG22 ' A' ' 71' ' ' VAL . 72.7 p -87.73 162.49 17.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.736 HG22 ' HE3' ' A' ' 40' ' ' LYS . 41.3 mm -49.31 -43.24 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.41 ' HB2' ' HB3' ' A' ' 68' ' ' ASP . . . -49.38 -48.69 46.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.19 -45.16 89.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 27.2 mm -48.72 -37.36 8.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.736 ' HE3' HG22 ' A' ' 36' ' ' ILE . 37.0 mttt -66.81 -41.89 86.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -56.77 -43.69 81.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.3 mt -55.79 -68.78 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.405 ' CE2' ' HB2' ' A' ' 25' ' ' CYS . 10.0 t80 -38.86 -47.51 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 45' ' ' LYS . 1.2 m -45.59 -45.72 13.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 44' ' ' THR . 5.8 mtpm? -35.67 -66.68 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.0 m -56.95 -50.52 72.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -112.8 97.77 42.59 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.585 0.707 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -36.41 10.89 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.639 2.226 . . . . 0.0 112.389 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -59.66 -31.41 69.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 13.7 m0 -81.59 93.43 6.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -75.19 160.21 80.7 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.641 0.734 . . . . 0.0 110.947 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -28.43 25.33 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.725 2.283 . . . . 0.0 112.368 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.14 -26.82 65.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -100.78 -45.62 5.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -48.81 98.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 t -98.8 131.59 44.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.433 ' C ' ' HG3' ' A' ' 58' ' ' ARG . 29.4 mt -117.41 144.38 45.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.433 ' HG3' ' C ' ' A' ' 57' ' ' LEU . 14.3 mtt-85 -148.2 135.56 20.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.44 ' HG ' HD21 ' A' ' 66' ' ' LEU . 15.6 mt -59.23 -22.13 60.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -151.31 153.3 32.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.595 0.712 . . . . 0.0 110.882 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.489 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.9 Cg_endo -69.75 -10.44 28.57 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -128.62 24.44 5.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -101.66 -123.37 5.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.511 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.404 ' C ' ' NH1' ' A' ' 58' ' ' ARG . 31.5 pttt -136.27 -176.23 4.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.785 0.326 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.8 p -83.73 125.07 31.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.44 HD21 ' HG ' ' A' ' 59' ' ' LEU . 9.7 mt -68.59 162.37 26.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -139.0 151.54 46.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 69' ' ' GLU . 13.7 p-10 -43.15 -49.46 6.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 68' ' ' ASP . 13.8 pt-20 -35.47 -37.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -65.67 148.75 51.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.515 HG22 HG22 ' A' ' 35' ' ' THR . 15.2 t -135.81 150.42 28.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.8 mt -60.8 -9.49 4.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -112.0 -20.35 12.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -90.39 -30.64 17.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.873 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -60.55 154.79 53.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.646 0.736 . . . . 0.0 110.887 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 25.0 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.667 2.245 . . . . 0.0 112.291 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.743 HG11 ' HA ' ' A' ' 81' ' ' ALA . 8.1 t -118.34 169.22 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.592 ' N ' HG12 ' A' ' 77' ' ' VAL . . . -107.77 -153.97 18.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.8 p -48.77 -43.41 37.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.905 0.383 . . . . 0.0 111.127 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.2 m -89.61 89.21 7.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.743 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -89.35 147.52 24.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.083 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 34.1 m -129.59 126.23 38.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.8 mt -120.79 150.11 41.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.489 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 86.2 m-85 -113.23 133.96 54.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.553 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 1.3 t80 -96.6 141.19 30.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.5 tpp85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 -179.91 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.4 m80 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.786 0.327 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.549 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.5 m-85 -89.11 137.99 31.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -100.16 109.98 22.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.492 HG22 ' HB3' ' A' ' 81' ' ' ALA . 90.3 t -116.86 114.25 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.421 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 11.3 pt-20 -104.12 100.5 10.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.9 mt -76.33 98.24 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.545 HD23 ' HA ' ' A' ' 23' ' ' LYS . 93.1 mt -98.73 172.12 7.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.411 ' HB3' ' N ' ' A' ' 21' ' ' ARG . 35.1 t70 -90.83 157.56 17.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.27 -11.54 43.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -107.13 -75.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.4 p -82.2 -10.8 59.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.411 ' N ' ' HB3' ' A' ' 17' ' ' ASP . 18.0 mtm-85 46.06 51.44 10.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -102.28 132.73 48.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.545 ' HA ' HD23 ' A' ' 16' ' ' LEU . 1.0 OUTLIER -49.55 107.79 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.1 mt -96.42 -39.84 9.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -158.57 140.81 14.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.421 ' CE2' ' HB3' ' A' ' 14' ' ' GLU . 14.3 t80 -128.13 105.93 8.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.409 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 17.0 mt -99.14 95.18 6.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -91.87 16.26 11.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -133.08 41.0 3.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.499 HG11 HD11 ' A' ' 72' ' ' LEU . 32.6 t -98.95 149.82 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -87.23 151.47 51.36 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.741 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.549 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 52.9 Cg_endo -69.82 -40.07 5.66 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.634 2.222 . . . . 0.0 112.326 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 -73.24 -20.16 60.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.92 126.79 17.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.0 p -87.85 162.64 16.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.739 HG22 ' HE3' ' A' ' 40' ' ' LYS . 42.7 mm -49.24 -43.55 16.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.09 -48.85 33.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -62.82 -47.5 83.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 51.4 mm -45.91 -47.42 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.116 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.739 ' HE3' HG22 ' A' ' 36' ' ' ILE . 36.7 mttt -57.6 -45.5 85.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -55.08 -52.54 62.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.9 mt -45.77 -63.6 0.93 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -45.24 -40.91 7.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 45' ' ' LYS . 4.2 m -62.13 -42.91 99.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 44' ' ' THR . 39.0 mtpt -34.19 -63.99 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.2 m -61.86 -57.36 12.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.194 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 30.7 m-70 -103.92 97.95 12.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.574 0.702 . . . . 0.0 110.872 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.4 Cg_endo -69.81 -43.72 2.46 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.609 2.206 . . . . 0.0 112.328 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -47.1 -34.8 6.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -82.6 94.65 7.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.467 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 1.0 OUTLIER -73.66 160.21 82.68 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.629 0.728 . . . . 0.0 110.948 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -25.03 28.93 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.25 . . . . 0.0 112.328 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.52 -18.67 65.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.09 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.467 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 9.5 ttt180 -100.96 -50.9 3.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -53.56 117.36 3.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.8 t -113.77 119.26 36.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 83' ' ' LEU . 75.6 mt -104.0 138.27 40.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.8 mtt-85 -142.92 135.4 27.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.612 HD21 HD21 ' A' ' 66' ' ' LEU . 5.8 mt -59.11 -20.82 56.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -153.15 153.74 29.96 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.587 0.708 . . . . 0.0 110.841 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.551 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.5 Cg_endo -69.79 -14.66 36.3 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.713 2.275 . . . . 0.0 112.305 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -124.6 32.89 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -113.43 -122.06 3.82 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -147.82 168.57 21.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.756 0.312 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 55.5 p -64.28 141.51 58.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.612 HD21 HD21 ' A' ' 59' ' ' LEU . 7.3 mt -81.57 155.45 25.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 7.0 mptt -115.56 144.83 43.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.14 -43.73 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -44.14 -37.52 3.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.435 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 5.8 m-20 -56.5 150.79 14.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.4 t -139.04 151.54 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.499 HD11 HG11 ' A' ' 30' ' ' VAL . 13.8 mt -62.68 -10.76 13.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -111.4 -18.03 12.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -94.25 -29.39 15.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.847 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -58.95 155.4 32.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.58 0.705 . . . . 0.0 110.915 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 25.02 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.694 2.263 . . . . 0.0 112.327 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.778 HG11 ' HA ' ' A' ' 81' ' ' ALA . 5.1 t -119.52 170.15 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.62 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -107.86 -153.41 17.72 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.522 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.5 p -48.19 -43.82 32.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 111.119 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 62.4 m -92.15 94.28 9.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.778 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -93.08 147.86 22.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 73.8 m -126.55 127.76 45.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 57' ' ' LEU . 33.9 mt -120.91 142.19 49.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.551 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 83.7 m-85 -107.05 134.69 49.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.433 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 2.9 t80 -94.85 140.66 29.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.95 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.4 m80 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.787 0.327 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.553 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -91.79 144.37 25.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -109.16 109.91 21.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.426 HG22 ' HB3' ' A' ' 81' ' ' ALA . 79.1 t -114.08 104.92 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -92.72 100.13 12.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.6 mt -77.13 98.17 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.123 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.9 mt -100.47 168.93 9.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -88.64 157.96 18.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.9 -10.23 45.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.18 -75.31 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.3 p -79.32 -14.27 59.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.133 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 51.69 50.74 18.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -103.03 144.63 31.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 105.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 mt -94.89 -37.09 11.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.3 t -149.6 139.56 21.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -129.03 106.1 8.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.3 mt -105.3 108.13 19.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -104.69 15.51 27.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -134.1 42.44 2.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.498 HG11 HD11 ' A' ' 72' ' ' LEU . 14.8 t -96.23 154.09 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -90.39 147.55 36.94 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.569 0.7 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.553 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 54.4 Cg_endo -69.77 -27.33 26.57 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.365 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -90.0 2.19 55.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.96 126.08 28.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 82.3 p -87.32 160.27 18.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.574 HG22 ' HE3' ' A' ' 40' ' ' LYS . 27.8 mm -48.98 -38.33 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.02 -45.42 64.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -69.82 -46.83 64.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.508 ' HA ' HD12 ' A' ' 42' ' ' LEU . 37.9 mm -46.6 -40.8 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.574 ' HE3' HG22 ' A' ' 36' ' ' ILE . 27.9 mttt -64.13 -43.42 95.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -57.0 -48.83 77.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 39' ' ' ILE . 19.9 mt -50.73 -55.73 15.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.447 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 5.2 t80 -54.06 -34.07 59.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 50' ' ' TRP . 20.9 m -67.66 -35.9 79.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -40.23 -68.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.4 m -55.58 -51.8 65.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -105.79 92.44 6.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -29.54 23.63 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.76 2.306 . . . . 0.0 112.291 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -63.47 -28.34 69.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.942 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.411 ' O ' HG23 ' A' ' 44' ' ' THR . 17.0 m0 -89.3 111.48 22.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.456 ' HD2' ' HB3' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -88.14 161.67 42.78 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.705 0.764 . . . . 0.0 110.951 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -19.35 36.43 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.718 2.279 . . . . 0.0 112.334 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.456 ' HB3' ' HD2' ' A' ' 51' ' ' TYR . . . -68.12 -2.17 7.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.443 ' HD2' ' CZ ' ' A' ' 51' ' ' TYR . 35.1 mtt180 -119.21 -54.69 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.401 ' OE1' ' CD1' ' A' ' 43' ' ' PHE . 53.4 mt-30 -45.2 109.91 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.0 m -109.04 109.38 20.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.828 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.727 HD13 HD13 ' A' ' 83' ' ' LEU . 97.1 mt -92.21 141.72 28.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.406 ' HG3' ' C ' ' A' ' 57' ' ' LEU . 3.5 mtt-85 -148.47 131.51 16.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.3 mt -54.76 -19.71 6.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -153.35 153.9 29.93 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.641 0.734 . . . . 0.0 110.851 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.482 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.78 -5.94 17.43 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.338 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -129.79 16.43 5.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -96.59 -128.76 5.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -135.44 175.9 9.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.7 p -75.98 129.36 36.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.2 mt -73.73 161.23 30.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -129.78 155.24 46.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -46.42 -42.52 15.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -39.98 -37.82 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.429 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 44.0 m-20 -63.03 156.89 23.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.6 t -141.76 151.86 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.498 HD11 HG11 ' A' ' 30' ' ' VAL . 12.7 mt -66.41 -12.94 59.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -110.68 -16.22 13.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm -97.43 -27.93 14.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.869 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -59.18 154.94 37.86 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.563 0.697 . . . . 0.0 110.931 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 24.75 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.821 HG11 ' HA ' ' A' ' 81' ' ' ALA . 4.6 t -118.63 170.31 8.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.138 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.621 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -112.72 -165.43 16.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 78' ' ' GLY . 19.9 p -34.51 -43.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 111.105 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.9 m -93.81 98.03 10.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.821 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -98.15 146.7 25.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.5 m -128.89 122.03 29.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.727 HD13 HD13 ' A' ' 57' ' ' LEU . 27.4 mt -115.76 145.5 42.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.482 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 82.6 m-85 -109.02 132.47 54.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -95.49 137.5 34.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.923 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.6 m80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.832 0.348 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.6 m-85 -87.89 146.33 25.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.953 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.411 ' HG2' ' CG ' ' A' ' 28' ' ' ASP . 24.3 mt-10 -107.1 109.83 21.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.495 HG22 ' HB3' ' A' ' 81' ' ' ALA . 89.0 t -116.76 112.08 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.107 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -102.91 101.37 11.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.4 mt -77.33 99.63 2.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.568 HD23 ' HA ' ' A' ' 23' ' ' LYS . 65.3 mt -99.36 169.62 9.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -86.58 156.51 20.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.24 -0.16 57.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -121.08 -63.88 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.9 p -87.88 -8.71 55.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.5 mtm180 44.31 46.35 7.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -101.77 144.29 30.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.568 ' HA ' HD23 ' A' ' 16' ' ' LEU . 4.8 tppt? -61.7 108.67 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.8 mt -95.49 -38.3 10.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.1 t -155.43 147.3 23.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -132.34 102.32 5.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.8 mt -102.14 95.37 6.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.411 ' CG ' ' HG2' ' A' ' 12' ' ' GLU . 19.9 t0 -92.03 11.24 25.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.48 40.71 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.591 HG11 HD11 ' A' ' 72' ' ' LEU . 27.9 t -95.9 148.92 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -86.68 146.61 41.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.665 0.745 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 54.1 Cg_endo -69.73 -36.52 10.73 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.356 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.5 p80 -75.51 -23.61 56.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.55 133.79 41.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.8 p -89.92 171.83 9.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.635 HG22 ' HE3' ' A' ' 40' ' ' LYS . 37.2 mm -55.71 -44.72 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.8 -47.9 30.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -62.0 -46.15 90.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.587 ' HA ' HD12 ' A' ' 42' ' ' LEU . 31.6 mm -46.02 -47.68 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.635 ' HE3' HG22 ' A' ' 36' ' ' ILE . 0.8 OUTLIER -52.94 -51.37 61.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.843 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -50.91 -55.55 16.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.587 HD12 ' HA ' ' A' ' 39' ' ' ILE . 12.4 mt -41.56 -47.16 3.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.703 ' CD1' ' NE2' ' A' ' 55' ' ' GLN . 4.7 t80 -67.69 -39.79 84.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 m -57.85 -39.33 77.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.167 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -38.05 -62.49 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.7 m -62.69 -58.89 5.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.183 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.425 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 37.2 m80 -101.36 98.84 9.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.59 0.709 . . . . 0.0 110.882 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.6 Cg_endo -69.76 -46.18 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 2.241 . . . . 0.0 112.332 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -46.59 -30.74 2.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 16.7 m0 -85.47 113.22 21.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -91.0 161.55 35.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.729 0.776 . . . . 0.0 110.895 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -9.79 26.98 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.541 ' HB3' ' HD2' ' A' ' 51' ' ' TYR . . . -81.04 -30.57 34.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.109 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.573 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 8.1 ttt180 -91.21 -49.39 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.703 ' NE2' ' CD1' ' A' ' 43' ' ' PHE . 40.9 mt-30 -52.7 93.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.6 t -86.9 134.67 33.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.468 HD13 HD13 ' A' ' 83' ' ' LEU . 83.6 mt -125.31 137.64 54.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.9 mtt180 -146.42 145.22 30.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.561 HD21 HD21 ' A' ' 66' ' ' LEU . 4.3 mt -65.1 -16.74 63.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -156.76 151.33 20.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.565 0.698 . . . . 0.0 110.858 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.487 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 54.6 Cg_endo -69.67 -11.19 30.43 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.704 2.269 . . . . 0.0 112.382 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -125.98 23.85 7.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -102.66 -121.2 4.87 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -141.84 178.63 7.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.767 0.318 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.8 p -78.65 120.67 23.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.561 HD21 HD21 ' A' ' 59' ' ' LEU . 7.0 mt -61.63 159.0 14.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.908 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -125.94 149.07 49.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.48 -44.8 36.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -43.1 -25.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -73.74 144.95 45.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.6 t -129.0 155.64 41.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.591 HD11 HG11 ' A' ' 30' ' ' VAL . 13.4 mt -65.34 -9.12 21.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.943 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -112.62 -24.12 9.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -88.69 -29.65 19.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.849 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -58.15 155.19 26.69 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.617 0.723 . . . . 0.0 110.912 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 25.08 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.82 HG11 ' HA ' ' A' ' 81' ' ' ALA . 4.9 t -120.1 170.37 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.093 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.623 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -110.92 -162.97 18.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.6 p -40.64 -39.24 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.369 . . . . 0.0 111.121 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 37.8 m -95.48 91.92 6.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.82 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -93.57 147.99 22.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.038 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.3 m -129.01 128.2 43.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.468 HD13 HD13 ' A' ' 57' ' ' LEU . 22.8 mt -121.25 137.29 54.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.487 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 81.4 m-85 -100.85 138.95 37.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.57 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 0.7 OUTLIER -95.29 139.86 31.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.879 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.5 m80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.778 0.323 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -99.74 137.61 37.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -100.62 109.96 22.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.505 HG22 ' HB3' ' A' ' 81' ' ' ALA . 85.2 t -116.91 121.25 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -110.6 99.98 8.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.7 mt -76.89 101.02 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.165 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mt -100.04 170.4 8.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -86.82 156.92 19.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.81 -1.14 57.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.434 ' HE2' ' C ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -117.6 -70.01 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.9 p -87.83 -5.3 58.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 mtt85 42.67 49.55 4.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -100.38 131.22 46.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -51.02 105.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.2 mt -93.48 -35.24 13.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -157.58 144.92 18.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -132.05 105.15 7.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.418 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 27.7 mt -101.58 97.53 7.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -93.91 11.57 29.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -129.17 47.38 2.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.421 HG11 HD11 ' A' ' 72' ' ' LEU . 20.4 t -105.4 145.06 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -83.66 151.03 60.86 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.655 0.74 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.555 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.8 Cg_endo -69.79 -44.82 1.84 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.354 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -70.02 -9.22 54.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.59 129.05 39.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.4 HG22 HG22 ' A' ' 71' ' ' VAL . 69.8 p -92.23 159.7 15.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.541 HG22 ' HE2' ' A' ' 40' ' ' LYS . 42.5 mm -46.18 -41.9 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.14 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.3 -48.91 45.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.054 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -63.0 -52.64 62.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.689 ' HA ' HD12 ' A' ' 42' ' ' LEU . 23.3 mm -38.35 -46.53 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.541 ' HE2' HG22 ' A' ' 36' ' ' ILE . 3.4 mptp? -55.4 -53.54 54.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -47.14 -46.89 23.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 39' ' ' ILE . 15.2 mt -52.4 -64.07 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.96 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.654 ' CD1' ' NE2' ' A' ' 55' ' ' GLN . 4.1 t80 -48.17 -34.94 10.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 m -66.87 -45.56 77.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.106 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -36.95 -63.41 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.87 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.7 m -59.37 -60.53 3.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.154 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -103.29 102.38 28.53 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.62 0.724 . . . . 0.0 110.861 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -44.95 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.714 2.276 . . . . 0.0 112.348 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -48.25 -37.67 16.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 13.8 m0 -78.72 103.53 8.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.477 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.6 OUTLIER -85.38 160.87 53.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.72 0.771 . . . . 0.0 110.913 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -26.26 27.68 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.25 -30.0 71.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.477 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 9.5 ttt85 -92.6 -59.58 2.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.654 ' NE2' ' CD1' ' A' ' 43' ' ' PHE . 31.3 mt-30 -45.17 115.08 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.5 t -110.46 140.36 44.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.502 HD13 HD13 ' A' ' 83' ' ' LEU . 97.3 mt -124.2 138.84 54.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.424 ' HG3' ' C ' ' A' ' 57' ' ' LEU . 8.6 mtt-85 -144.65 137.13 26.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.562 ' CD2' HD11 ' A' ' 66' ' ' LEU . 11.7 mt -59.41 -22.93 62.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -152.03 153.76 31.74 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.627 0.727 . . . . 0.0 110.835 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.572 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.5 Cg_endo -69.82 -13.14 34.12 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.251 . . . . 0.0 112.368 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -126.36 32.73 5.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -114.87 -124.86 3.94 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -137.24 179.97 6.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.2 p -85.1 131.41 34.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.562 HD11 ' CD2' ' A' ' 59' ' ' LEU . 8.2 mt -72.56 162.6 29.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -129.79 160.86 32.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.38 -47.03 37.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -41.35 -37.85 1.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -63.41 143.05 58.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.4 HG22 HG22 ' A' ' 35' ' ' THR . 3.0 t -131.96 156.0 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.421 HD11 HG11 ' A' ' 30' ' ' VAL . 13.3 mt -66.03 -13.97 60.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -110.16 -14.2 14.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -99.06 -28.26 13.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.828 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -59.34 155.55 35.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.548 0.689 . . . . 0.0 110.967 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 25.28 0.17 Allowed 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.701 2.267 . . . . 0.0 112.389 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.777 HG11 ' HA ' ' A' ' 81' ' ' ALA . 6.7 t -120.07 169.55 11.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.591 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -109.86 -164.62 19.65 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.522 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 78' ' ' GLY . 17.7 p -35.87 -46.56 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 111.163 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 60.2 m -90.93 97.87 11.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.777 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -97.94 139.97 32.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.0 m -119.02 125.6 49.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.154 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.502 HD13 HD13 ' A' ' 57' ' ' LEU . 18.5 mt -121.05 134.37 55.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.572 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 93.0 m-85 -98.41 142.31 30.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.625 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 0.1 OUTLIER -99.33 142.38 30.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.951 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.8 m80 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.811 0.338 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.571 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -92.3 142.34 27.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -103.13 109.9 21.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.2 t -117.67 114.92 46.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -106.05 99.62 9.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.4 mt -76.08 98.03 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.612 HD21 ' HD3' ' A' ' 23' ' ' LYS . 80.9 mt -99.43 171.24 8.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -89.64 156.04 18.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.74 -0.79 57.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.1 tptt -120.29 -72.93 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.9 p -80.28 -11.66 59.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 48.46 30.81 2.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -83.41 132.6 34.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.612 ' HD3' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -51.62 118.87 3.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.3 mt -103.32 -40.44 6.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.4 t -158.6 146.75 18.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -130.23 102.93 6.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.1 mt -101.28 99.63 10.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -95.2 8.55 42.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.1 mttt -122.83 37.21 4.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.599 HG11 HD11 ' A' ' 72' ' ' LEU . 16.5 t -91.51 146.37 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.134 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -84.39 146.32 47.28 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.625 0.726 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.571 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.7 Cg_endo -69.82 -31.69 19.77 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.324 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -83.22 -13.26 55.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.02 131.07 49.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.4 p -89.63 160.05 16.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.728 HG22 ' HE2' ' A' ' 40' ' ' LYS . 47.0 mm -48.32 -42.22 11.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.91 -46.57 52.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.53 -46.29 83.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.49 ' HA ' HD12 ' A' ' 42' ' ' LEU . 36.9 mm -43.41 -46.77 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.728 ' HE2' HG22 ' A' ' 36' ' ' ILE . 3.1 mptp? -54.06 -52.53 60.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -48.61 -52.78 21.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 39' ' ' ILE . 19.8 mt -44.57 -57.79 3.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.501 ' CD1' ' NE2' ' A' ' 55' ' ' GLN . 3.2 t80 -55.9 -48.19 76.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 45' ' ' LYS . 3.2 m -49.71 -41.57 43.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.171 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 44' ' ' THR . 38.2 mtmt -36.54 -66.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.4 m -58.11 -56.2 25.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.436 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 61.2 m-70 -106.55 98.68 21.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.569 0.7 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.8 Cg_endo -69.74 -41.79 3.99 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -50.91 -33.42 24.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 15.5 m0 -81.84 95.23 7.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.516 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 1.0 OUTLIER -74.44 160.3 81.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.662 0.744 . . . . 0.0 110.944 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -14.67 36.63 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.705 2.27 . . . . 0.0 112.347 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.94 -20.73 55.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.516 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 24.4 ttt180 -102.16 -41.05 6.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.501 ' NE2' ' CD1' ' A' ' 43' ' ' PHE . 34.1 mt-30 -66.69 99.81 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.8 t -96.7 147.43 23.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.715 HD13 HD13 ' A' ' 83' ' ' LEU . 96.8 mt -127.9 140.4 52.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 -144.95 138.46 26.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.502 HD21 HD21 ' A' ' 66' ' ' LEU . 7.4 mt -60.78 -24.54 65.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -147.77 150.94 37.65 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.614 0.721 . . . . 0.0 110.896 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.541 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.74 -11.45 30.89 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.729 2.286 . . . . 0.0 112.314 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.06 21.43 7.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -106.37 -138.16 8.98 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.503 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.1 mmmt -118.42 178.97 4.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.829 0.347 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.6 p -85.15 139.36 31.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.502 HD21 HD21 ' A' ' 59' ' ' LEU . 5.8 mt -79.6 162.6 25.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -131.22 153.24 49.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -44.78 -46.61 10.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -41.18 -37.56 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.401 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 1.6 m-20 -63.59 145.9 54.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.4 t -131.72 151.97 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.599 HD11 HG11 ' A' ' 30' ' ' VAL . 15.1 mt -61.52 -10.1 7.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.954 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -111.97 -19.62 12.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -91.78 -30.25 16.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.846 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -59.32 155.23 37.5 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.625 0.726 . . . . 0.0 110.928 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 25.07 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.765 HG11 ' HA ' ' A' ' 81' ' ' ALA . 5.7 t -119.82 170.13 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.618 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -112.2 -165.72 17.36 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.509 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 78' ' ' GLY . 71.1 p -34.45 -48.33 0.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.864 0.364 . . . . 0.0 111.135 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.1 m -89.41 95.46 10.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.765 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -98.23 148.2 23.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.6 m -126.15 126.39 44.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.145 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.715 HD13 HD13 ' A' ' 57' ' ' LEU . 28.7 mt -120.68 137.36 54.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.541 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 85.2 m-85 -103.08 140.57 37.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.559 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 1.2 t80 -97.61 145.27 26.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.442 ' N ' ' CD1' ' A' ' 85' ' ' PHE . 8.2 tpp180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.8 m80 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.78 0.324 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.504 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.3 m-85 -92.08 144.41 25.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -103.53 109.96 21.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.531 HG22 ' HB3' ' A' ' 81' ' ' ALA . 98.7 t -119.9 108.25 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.116 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -103.09 101.55 11.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 83.8 mt -73.94 99.43 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.544 HD23 ' HA ' ' A' ' 23' ' ' LYS . 56.4 mt -99.73 169.85 8.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.532 ' OD2' HG22 ' A' ' 20' ' ' THR . 20.5 t0 -85.7 157.45 20.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.68 -5.17 58.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.07 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -115.56 -75.34 0.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.657 HG23 ' H ' ' A' ' 22' ' ' GLU . 9.8 t -82.49 -11.09 58.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.438 ' O ' HD22 ' A' ' 16' ' ' LEU . 2.1 mtm105 55.06 26.19 7.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.657 ' H ' HG23 ' A' ' 20' ' ' THR . 18.8 mt-10 -68.77 131.63 45.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.544 ' HA ' HD23 ' A' ' 16' ' ' LEU . 3.4 tppp? -55.61 109.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.0 mt -92.69 -48.21 6.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.84 154.15 39.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.924 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -134.93 102.78 5.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.6 mt -103.56 102.09 11.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -99.53 2.41 44.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -116.99 38.57 3.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.762 HG11 HD11 ' A' ' 72' ' ' LEU . 21.0 t -90.9 154.0 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -94.6 144.77 28.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.639 0.733 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.504 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 54.0 Cg_endo -69.84 -30.99 21.03 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.325 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -83.0 -16.44 47.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.27 131.07 49.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.0 p -86.42 164.93 16.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.629 HG22 ' HE2' ' A' ' 40' ' ' LYS . 43.2 mm -52.62 -38.16 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.48 -46.22 73.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.108 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.43 -41.94 98.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.701 ' HA ' HD12 ' A' ' 42' ' ' LEU . 49.0 mm -48.36 -47.52 14.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.629 ' HE2' HG22 ' A' ' 36' ' ' ILE . 2.2 mptp? -53.52 -52.91 58.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -49.62 -48.0 49.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.701 HD12 ' HA ' ' A' ' 39' ' ' ILE . 20.6 mt -49.71 -52.58 30.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.652 ' CE1' ' NE2' ' A' ' 55' ' ' GLN . 3.9 t80 -60.0 -38.08 81.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 45' ' ' LYS . 2.3 m -62.4 -44.71 95.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 44' ' ' THR . 58.7 mttp -36.48 -67.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.509 HG22 ' CD2' ' A' ' 47' ' ' HIS . 32.9 m -58.84 -54.22 49.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.509 ' CD2' HG22 ' A' ' 46' ' ' THR . 16.4 m170 -108.86 96.75 21.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.598 0.713 . . . . 0.0 110.859 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 54.0 Cg_endo -69.77 -39.31 6.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.695 2.264 . . . . 0.0 112.352 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -52.9 -39.79 63.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -78.38 98.12 5.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -78.41 160.23 73.19 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.664 0.745 . . . . 0.0 110.895 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -28.64 24.88 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.332 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.65 -19.28 62.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.084 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.9 ttt-85 -104.39 -45.93 4.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.652 ' NE2' ' CE1' ' A' ' 43' ' ' PHE . 38.1 mt-30 -62.97 109.77 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.3 t -99.39 145.97 26.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.8 mt -133.0 134.38 44.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -147.09 146.83 30.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.6 mt -65.23 -25.91 67.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -145.36 152.03 49.03 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.617 0.722 . . . . 0.0 110.838 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.571 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.73 -13.25 34.47 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.318 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -125.67 27.24 6.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -103.51 -122.86 5.17 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.485 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -137.52 -176.15 4.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.33 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.1 p -86.25 121.63 29.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.0 mt -64.58 161.22 17.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -133.14 149.9 52.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 69' ' ' GLU . 3.9 p30 -42.69 -49.32 5.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 68' ' ' ASP . 10.1 pt-20 -35.9 -39.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.426 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 1.2 m-20 -61.81 149.84 38.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.2 t -133.11 153.34 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.762 HD11 HG11 ' A' ' 30' ' ' VAL . 13.1 mt -65.32 -11.77 45.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -111.53 -19.01 12.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.7 mmtt -94.05 -28.64 15.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.851 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -58.66 155.06 32.0 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.642 0.734 . . . . 0.0 110.877 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 25.11 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.809 HG11 ' HA ' ' A' ' 81' ' ' ALA . 5.7 t -119.46 169.73 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.599 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -110.06 -164.5 19.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.462 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 36.1 p -40.77 -38.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 111.132 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 28.0 m -94.7 89.17 5.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.809 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -90.45 143.86 26.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.1 m -124.48 121.91 36.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 36.7 mt -114.98 132.25 56.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.571 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 72.0 m-85 -96.23 143.67 27.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.618 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 0.1 OUTLIER -105.82 142.09 36.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.844 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.94 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.4 m80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.752 0.311 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.508 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -92.31 139.21 30.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -102.31 110.02 21.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.522 HG22 ' HB3' ' A' ' 81' ' ' ALA . 86.1 t -117.82 120.89 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -108.85 99.7 9.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.4 mt -74.99 104.0 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' A' ' 23' ' ' LYS . 21.0 mt -103.3 171.99 7.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -89.62 155.27 19.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.814 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.05 3.12 54.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -125.03 -64.92 1.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 64.9 p -88.06 -9.21 54.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.106 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 45.69 46.32 11.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -101.19 135.79 42.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.497 ' HA ' HD23 ' A' ' 16' ' ' LEU . 5.0 tppt? -53.65 108.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.9 mt -93.2 -39.11 11.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t -160.1 141.47 12.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -123.81 106.2 10.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.0 mt -102.43 98.77 8.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -93.14 8.85 38.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -127.37 46.91 2.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.682 HG11 HD11 ' A' ' 72' ' ' LEU . 29.3 t -100.85 143.21 14.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -81.63 145.53 54.79 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.632 0.73 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.508 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.81 -32.7 17.85 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.634 2.223 . . . . 0.0 112.333 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -82.94 -7.72 59.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.37 128.68 36.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 77.5 p -85.35 155.96 21.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.443 ' CG1' ' HB2' ' A' ' 70' ' ' ASP . 48.9 mm -43.51 -40.61 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.06 -50.07 62.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -59.21 -39.14 81.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.492 ' HA ' HD12 ' A' ' 42' ' ' LEU . 46.3 mm -54.5 -49.62 64.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -54.85 -43.66 73.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -57.81 -55.02 40.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 39' ' ' ILE . 24.2 mt -44.49 -59.52 2.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.622 ' CD1' ' NE2' ' A' ' 55' ' ' GLN . 4.4 t80 -50.7 -35.06 29.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 45' ' ' LYS . 16.7 m -63.34 -40.85 98.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 44' ' ' THR . 29.6 mtmt -34.4 -69.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.549 ' CG2' ' N ' ' A' ' 47' ' ' HIS . 1.1 t -56.02 -47.2 78.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.549 ' N ' ' CG2' ' A' ' 46' ' ' THR . 7.4 m-70 -113.0 95.86 36.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.591 0.71 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.8 Cg_endo -69.75 -37.13 9.61 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -56.7 -33.19 66.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.401 ' CD1' ' N ' ' A' ' 50' ' ' TRP . 12.8 m0 -81.2 88.65 6.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -69.45 160.33 79.74 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.712 0.768 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -37.93 8.39 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.66 -23.84 1.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -102.43 -56.69 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.622 ' NE2' ' CD1' ' A' ' 43' ' ' PHE . 22.3 mt-30 -44.89 105.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 t -98.87 148.98 23.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.8 mt -131.71 143.11 50.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -152.23 141.45 21.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.432 HD21 HD21 ' A' ' 66' ' ' LEU . 4.5 mt -65.26 -15.91 63.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -158.06 153.33 21.89 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.607 0.718 . . . . 0.0 110.851 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.546 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 54.0 Cg_endo -69.73 -10.36 28.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.657 2.238 . . . . 0.0 112.386 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -126.23 19.41 7.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -97.96 -137.95 9.94 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.438 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.423 ' HD3' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -118.56 179.25 4.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.762 0.315 . . . . 0.0 110.887 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.5 p -85.69 103.44 14.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.809 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.432 HD21 HD21 ' A' ' 59' ' ' LEU . 9.3 mt -46.11 157.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -133.04 150.04 52.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 69' ' ' GLU . 2.0 p30 -40.16 -52.01 2.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.461 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 9.5 pt-20 -34.93 -39.62 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.443 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 0.9 OUTLIER -59.63 148.24 34.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -134.34 152.48 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.183 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.682 HD11 HG11 ' A' ' 30' ' ' VAL . 14.0 mt -65.02 -12.37 49.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -111.01 -16.59 13.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt -96.52 -28.37 14.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.849 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -59.22 155.17 36.81 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.66 0.743 . . . . 0.0 110.874 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 24.97 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.669 2.246 . . . . 0.0 112.332 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.776 HG11 ' HA ' ' A' ' 81' ' ' ALA . 3.8 t -119.73 170.95 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.644 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -112.28 -162.75 16.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.5 p -39.4 -36.52 0.37 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.848 0.356 . . . . 0.0 111.144 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.0 m -98.28 94.79 6.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.162 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.776 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -97.75 143.09 28.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.3 m -121.71 122.03 38.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 50.6 mt -117.0 137.2 52.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.546 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 83.5 m-85 -103.47 136.33 43.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.54 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -95.96 141.41 29.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.906 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.3 m80 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.817 0.342 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.508 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -90.33 138.32 31.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -100.01 110.12 22.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.711 HG22 ' HB3' ' A' ' 81' ' ' ALA . 79.8 t -118.75 116.88 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.084 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -110.0 100.03 9.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.417 HD12 ' HD2' ' A' ' 43' ' ' PHE . 68.1 mt -73.36 99.83 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 23' ' ' LYS . 30.9 mt -98.7 170.68 8.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -88.82 155.4 19.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.1 -1.44 57.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -118.47 -67.15 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.9 p -88.15 -10.09 51.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.0 mtm-85 47.49 47.29 17.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -99.49 137.25 38.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.446 ' HA ' HD23 ' A' ' 16' ' ' LEU . 2.9 tppp? -57.24 107.79 0.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.5 mt -93.12 -37.66 12.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -158.56 140.52 13.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -124.06 109.98 14.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.1 mt -109.63 101.17 10.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -97.43 9.75 41.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.797 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -124.96 40.7 3.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.438 HG11 HD11 ' A' ' 72' ' ' LEU . 20.8 t -96.5 145.69 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -84.96 149.18 52.69 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.662 0.744 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.508 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.8 Cg_endo -69.76 -37.67 8.84 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -77.3 -5.89 51.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.819 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.88 129.01 38.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.472 HG22 HG22 ' A' ' 71' ' ' VAL . 73.2 p -92.05 156.01 17.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.117 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.501 HG22 ' HE2' ' A' ' 40' ' ' LYS . 49.4 mm -41.36 -44.42 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.88 -52.05 15.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -61.31 -45.06 96.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.603 ' HA ' HD12 ' A' ' 42' ' ' LEU . 48.2 mm -47.1 -48.93 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.501 ' HE2' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -54.15 -48.51 70.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -51.84 -53.55 39.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 39' ' ' ILE . 10.6 mt -45.65 -61.33 1.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.417 ' HD2' HD12 ' A' ' 15' ' ' ILE . 4.4 t80 -50.16 -37.02 32.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 45' ' ' LYS . 1.9 m -58.82 -43.68 90.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.154 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 44' ' ' THR . 26.9 mttm -36.6 -67.8 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.6 m -59.17 -59.01 6.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.145 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 31.2 m-70 -102.51 96.66 7.66 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.617 0.722 . . . . 0.0 110.856 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.8 Cg_endo -69.71 -39.7 6.28 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -50.95 -28.04 8.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.404 ' O ' HG23 ' A' ' 44' ' ' THR . 18.6 m0 -87.67 116.24 25.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.477 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -98.45 160.77 27.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.678 0.751 . . . . 0.0 110.924 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -28.21 25.84 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.382 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.1 -34.59 78.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.477 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 9.2 ttm180 -90.42 -53.02 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -50.02 114.33 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 t -107.5 139.1 42.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.426 HD12 HG23 ' A' ' 36' ' ' ILE . 68.9 mt -122.78 142.65 50.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -149.55 138.19 20.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.4 mt -62.49 -25.4 67.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.87 150.29 49.24 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.614 0.721 . . . . 0.0 110.843 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.569 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.9 Cg_endo -69.77 -11.62 31.2 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 pttm -125.85 23.0 7.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -100.22 -119.78 4.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -142.48 -179.19 6.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.782 0.325 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.9 p -78.96 129.66 34.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.8 mt -74.05 160.62 31.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -131.93 151.53 51.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 70' ' ' ASP . 2.0 m-20 -46.28 -48.05 18.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -38.96 -27.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 68' ' ' ASP . 1.8 m-20 -72.85 145.01 47.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.472 HG22 HG22 ' A' ' 35' ' ' THR . 3.0 t -129.48 152.23 36.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.438 HD11 HG11 ' A' ' 30' ' ' VAL . 12.4 mt -64.34 -11.47 32.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -111.47 -17.36 13.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -95.19 -29.45 14.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.816 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -58.82 155.43 31.28 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.649 0.738 . . . . 0.0 110.907 179.886 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 25.76 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.244 . . . . 0.0 112.395 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.678 HG11 ' HA ' ' A' ' 81' ' ' ALA . 21.3 t -121.14 167.61 14.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.6 ' N ' HG12 ' A' ' 77' ' ' VAL . . . -107.54 -161.68 21.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 47.3 p -40.12 -45.36 1.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.361 . . . . 0.0 111.142 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 35.2 m -86.48 92.74 8.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.711 ' HB3' HG22 ' A' ' 13' ' ' VAL . . . -91.85 139.55 30.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.07 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.3 m -123.92 117.93 25.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.181 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.411 HD13 HD13 ' A' ' 57' ' ' LEU . 23.1 mt -114.1 140.66 48.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.569 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 75.0 m-85 -105.58 138.56 41.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.585 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -100.17 138.48 37.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.922 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.842 0.353 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.561 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 2.9 m-85 -101.41 142.94 32.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -102.78 109.95 21.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.517 HG22 ' HB3' ' A' ' 81' ' ' ALA . 98.5 t -119.12 124.56 73.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.123 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -113.82 100.28 8.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.0 mt -74.78 99.23 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 23' ' ' LYS . 12.0 mt -97.97 169.88 9.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.938 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -88.13 157.32 18.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.0 -4.76 58.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -114.29 -74.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.0 p -79.92 -12.07 59.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.5 mtm105 47.99 52.35 13.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -105.89 137.99 42.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.451 ' HA ' HD23 ' A' ' 16' ' ' LEU . 5.9 tppt? -55.72 104.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.7 mt -92.24 -29.77 16.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.931 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -163.69 143.27 8.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -129.71 102.98 6.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.447 HD13 HD13 ' A' ' 42' ' ' LEU . 15.1 mt -99.93 103.31 14.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -98.48 6.67 47.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -121.25 39.87 3.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.703 HG11 HD11 ' A' ' 72' ' ' LEU . 14.2 t -96.61 143.3 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.112 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -83.08 148.31 56.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.561 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.7 Cg_endo -69.77 -29.68 23.45 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.718 2.279 . . . . 0.0 112.377 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -86.18 -9.4 56.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.31 135.73 57.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.5 p -93.23 159.36 15.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.67 HG22 ' HE3' ' A' ' 40' ' ' LYS . 45.4 mm -46.34 -42.9 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.426 ' HB2' ' HB3' ' A' ' 68' ' ' ASP . . . -48.23 -53.57 16.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -58.29 -40.9 83.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.659 ' HA ' HD12 ' A' ' 42' ' ' LEU . 35.8 mm -52.87 -55.49 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.67 ' HE3' HG22 ' A' ' 36' ' ' ILE . 41.3 mttt -49.43 -47.1 48.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -52.12 -51.82 55.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' A' ' 39' ' ' ILE . 15.4 mt -46.68 -62.55 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.445 ' CE1' ' NE2' ' A' ' 55' ' ' GLN . 5.6 t80 -48.15 -30.53 4.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.4 m -69.79 -40.65 75.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -38.66 -61.02 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.1 m -61.31 -60.14 4.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.189 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 41.8 m-70 -100.8 99.06 9.38 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.61 0.719 . . . . 0.0 110.867 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 54.1 Cg_endo -69.68 -42.0 3.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.758 2.305 . . . . 0.0 112.349 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -50.46 -33.94 22.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.405 ' CE3' ' CE1' ' A' ' 43' ' ' PHE . 18.1 m0 -81.96 115.56 21.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.494 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -97.44 159.6 30.77 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.672 0.748 . . . . 0.0 110.909 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -28.78 24.46 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.63 2.22 . . . . 0.0 112.35 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.42 -30.84 71.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.089 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.494 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 7.2 ttm180 -90.6 -42.83 10.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.445 ' NE2' ' CE1' ' A' ' 43' ' ' PHE . 62.0 mt-30 -64.54 139.64 58.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.9 t -130.73 126.64 36.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.4 mt -105.6 138.13 42.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.951 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -146.02 136.67 24.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.7 mt -62.46 -22.2 66.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -147.62 150.74 37.58 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.572 0.701 . . . . 0.0 110.895 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.561 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.8 Cg_endo -69.74 -11.48 30.95 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.01 18.86 8.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -97.99 -125.89 5.33 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -137.29 -176.87 4.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.808 0.337 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.4 p -80.11 137.25 36.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.0 mt -80.95 161.46 24.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -133.4 150.52 51.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 70' ' ' ASP . 0.9 OUTLIER -44.08 -50.26 8.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' ASP . 8.4 pt-20 -34.88 -34.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' ASP . 42.9 m-20 -67.8 143.95 55.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.2 t -129.93 153.22 38.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.703 HD11 HG11 ' A' ' 30' ' ' VAL . 17.6 mt -63.89 -12.2 34.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -111.02 -15.4 13.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -97.2 -29.04 13.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.832 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -59.67 155.48 39.68 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.619 0.723 . . . . 0.0 110.917 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 25.34 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.342 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.721 HG11 ' HA ' ' A' ' 81' ' ' ALA . 3.7 t -120.67 170.81 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.641 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -110.51 -165.43 19.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 78' ' ' GLY . 36.3 p -34.77 -51.36 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 111.138 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.2 m -88.14 98.77 11.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.721 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -98.93 151.51 20.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.093 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.4 m -127.53 129.34 47.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.158 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 32.2 mt -122.25 141.96 50.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.561 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 73.7 m-85 -107.07 134.97 49.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.509 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -97.75 145.34 26.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.912 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.439 ' CG ' ' HA ' ' A' ' 29' ' ' LYS . 12.3 m80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.816 0.341 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.54 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.5 m-85 -97.91 144.23 27.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -103.42 109.86 21.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.5 HG22 ' HB3' ' A' ' 81' ' ' ALA . 99.5 t -119.46 116.52 51.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -109.72 101.5 10.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.5 mt -74.92 98.49 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.536 HD23 ' HA ' ' A' ' 23' ' ' LYS . 51.8 mt -97.77 167.59 10.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -85.74 157.53 20.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.29 -2.24 57.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.9 ttmt -119.42 -66.16 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.9 p -87.82 -3.94 58.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 mtm-85 42.33 33.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -84.2 139.83 32.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.536 ' HA ' HD23 ' A' ' 16' ' ' LEU . 3.0 tppp? -60.59 109.55 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.0 mt -91.68 -44.08 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.8 t -153.75 153.97 33.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -135.37 107.14 7.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.3 mt -107.69 106.02 16.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -100.44 2.3 42.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.439 ' HA ' ' CG ' ' A' ' 10' ' ' HIS . 1.7 mppt? -118.48 40.87 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.5 HG11 HD11 ' A' ' 72' ' ' LEU . 24.2 t -95.66 147.07 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -85.54 147.35 46.43 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.668 0.747 . . . . 0.0 110.842 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.54 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.8 -30.76 21.59 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.734 2.289 . . . . 0.0 112.315 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -83.12 -8.41 59.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.42 127.27 30.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.5 p -89.09 153.39 21.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.437 HG22 ' HE3' ' A' ' 40' ' ' LYS . 45.7 mm -42.9 -38.27 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.456 ' HB2' ' HB3' ' A' ' 68' ' ' ASP . . . -54.48 -44.79 72.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.11 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -69.4 -41.85 75.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.429 ' HA ' HD12 ' A' ' 42' ' ' LEU . 45.0 mm -50.24 -43.22 21.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.548 ' CE ' HD12 ' A' ' 57' ' ' LEU . 2.1 mptm? -57.59 -46.37 84.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -53.87 -54.94 31.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 39' ' ' ILE . 18.4 mt -43.13 -49.22 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.651 ' CD1' ' NE2' ' A' ' 55' ' ' GLN . 5.4 t80 -63.31 -40.89 98.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.4 m -62.83 -37.26 86.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.206 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -39.05 -65.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.4 m -61.01 -56.44 21.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.433 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 10.2 m170 -103.06 95.84 7.18 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.572 0.701 . . . . 0.0 110.832 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 54.2 Cg_endo -69.76 -38.35 7.91 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.642 2.228 . . . . 0.0 112.368 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -56.93 -32.08 65.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 17.9 m0 -83.93 93.0 7.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -73.64 159.78 83.71 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.674 0.75 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -39.67 6.11 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.285 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -45.95 -23.45 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.8 ttt85 -103.27 -37.46 7.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.651 ' NE2' ' CD1' ' A' ' 43' ' ' PHE . 29.8 mt-30 -64.56 79.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 m -81.1 117.48 21.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.622 HD13 HD13 ' A' ' 83' ' ' LEU . 52.1 mt -102.2 144.65 30.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -149.94 140.27 22.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.521 HD21 HD21 ' A' ' 66' ' ' LEU . 6.7 mt -59.23 -10.69 3.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.499 ' HA ' ' CD2' ' A' ' 84' ' ' TYR . 8.1 m-20 -169.26 151.25 4.54 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.576 0.703 . . . . 0.0 110.901 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.589 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.4 Cg_endo -69.75 -4.35 13.84 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.327 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -127.96 24.49 6.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -114.81 -136.94 6.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.446 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.64 154.75 37.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.3 p -63.72 119.49 10.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.521 HD21 HD21 ' A' ' 59' ' ' LEU . 7.6 mt -59.16 159.91 6.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -129.2 157.78 40.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.456 ' HB3' ' HB2' ' A' ' 37' ' ' ALA . 1.4 p-10 -48.6 -48.22 39.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -40.0 -36.48 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -63.53 148.57 48.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.7 t -133.85 152.02 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.5 HD11 HG11 ' A' ' 30' ' ' VAL . 12.5 mt -63.74 -9.3 13.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -112.44 -22.94 10.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -89.82 -29.39 18.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.868 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -59.13 154.86 37.72 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.611 0.719 . . . . 0.0 110.896 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 24.8 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.723 2.282 . . . . 0.0 112.321 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.798 HG11 ' HA ' ' A' ' 81' ' ' ALA . 5.8 t -118.65 169.87 8.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.603 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -109.01 -166.65 20.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 78' ' ' GLY . 20.3 p -36.32 -42.8 0.34 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.864 0.364 . . . . 0.0 111.155 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 63.5 m -94.2 98.14 10.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.798 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -97.95 152.36 19.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.0 m -130.98 126.4 35.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.622 HD13 HD13 ' A' ' 57' ' ' LEU . 46.9 mt -115.01 150.24 36.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.589 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 65.8 m-85 -117.26 133.24 56.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.521 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 2.4 t80 -94.42 131.1 40.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.917 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.483 ' CG ' ' HA ' ' A' ' 29' ' ' LYS . 12.3 m80 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.844 0.354 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.536 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 4.5 m-85 -97.83 136.56 37.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -100.03 109.93 22.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.506 HG22 ' HB3' ' A' ' 81' ' ' ALA . 95.5 t -116.14 116.17 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -102.49 95.99 6.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.2 mt -75.17 98.57 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.127 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.8 mt -97.95 168.76 10.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -83.77 157.19 22.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 85' ' ' PHE . . . -89.49 -1.12 57.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.3 tptp -122.54 -63.51 1.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.3 p -87.3 -7.1 58.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.9 mtt85 42.24 51.18 4.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -106.25 142.29 36.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.85 101.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.5 mt -89.14 -35.27 16.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.8 t -156.24 141.58 17.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -128.49 100.71 5.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.403 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 17.2 mt -99.95 100.36 11.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -97.24 13.48 29.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.483 ' HA ' ' CG ' ' A' ' 10' ' ' HIS . 3.1 mppt? -130.44 38.78 3.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.474 HG11 HD11 ' A' ' 72' ' ' LEU . 45.7 t -93.64 150.33 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -88.34 147.96 41.34 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.665 0.745 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.536 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.7 -34.8 14.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.718 2.279 . . . . 0.0 112.341 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -79.05 -6.84 57.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.08 132.28 48.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.463 HG22 HG22 ' A' ' 71' ' ' VAL . 73.9 p -93.47 151.52 19.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.161 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.423 HG22 ' HE2' ' A' ' 40' ' ' LYS . 44.3 mm -38.99 -37.7 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.102 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.4 -46.76 76.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -62.87 -45.48 92.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.5 mm -47.48 -47.54 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.423 ' HE2' HG22 ' A' ' 36' ' ' ILE . 26.6 mttm -58.01 -44.44 87.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -53.89 -51.34 64.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.87 HD23 ' CE ' ' A' ' 45' ' ' LYS . 10.2 mt -51.07 -55.11 19.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.949 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.601 ' CE1' ' OE1' ' A' ' 55' ' ' GLN . 8.3 t80 -51.27 -29.03 13.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.93 -43.28 45.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.172 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.87 ' CE ' HD23 ' A' ' 42' ' ' LEU . 20.6 mtmm -38.01 -53.98 1.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.6 m -70.8 -54.24 12.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -105.51 95.95 11.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.631 0.729 . . . . 0.0 110.865 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -33.24 16.99 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.686 2.257 . . . . 0.0 112.324 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -61.77 -31.28 71.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 14.5 m0 -85.78 113.41 21.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.5 OUTLIER -91.27 160.58 36.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.681 0.753 . . . . 0.0 110.928 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -28.38 25.17 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.08 -26.06 67.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.57 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 26.0 ttt180 -91.24 -54.36 3.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.601 ' OE1' ' CE1' ' A' ' 43' ' ' PHE . 36.4 mt-30 -59.54 116.88 4.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 t -115.19 108.95 17.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.496 HD13 HD13 ' A' ' 83' ' ' LEU . 22.6 mt -86.75 142.39 28.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -150.62 138.76 20.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.446 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 8.5 mt -57.53 -11.99 2.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.446 ' CG ' ' O ' ' A' ' 59' ' ' LEU . 9.7 m-20 -166.78 149.59 6.05 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.584 0.707 . . . . 0.0 110.876 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.58 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.75 -3.94 13.01 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.8 pttt -126.76 26.52 6.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -116.24 -125.73 3.83 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.546 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -141.08 154.57 46.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.802 0.335 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 84.2 p -58.13 129.87 43.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.407 HD11 ' CD2' ' A' ' 59' ' ' LEU . 7.4 mt -70.52 159.2 34.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -120.46 150.1 41.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 69' ' ' GLU . 5.3 p-10 -42.3 -50.18 5.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.846 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 68' ' ' ASP . 23.8 pt-20 -35.33 -41.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -62.21 146.13 51.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.463 HG22 HG22 ' A' ' 35' ' ' THR . 9.8 t -132.48 154.86 40.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.474 HD11 HG11 ' A' ' 30' ' ' VAL . 15.2 mt -66.69 -6.75 16.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -113.6 -20.02 11.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -97.28 -26.46 14.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.842 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -58.67 155.24 31.06 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.583 0.706 . . . . 0.0 110.923 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 25.35 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.643 2.229 . . . . 0.0 112.295 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.801 HG11 ' HA ' ' A' ' 81' ' ' ALA . 5.3 t -120.22 170.21 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.613 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -109.35 -163.9 20.03 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.2 p -38.35 -42.14 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.359 . . . . 0.0 111.128 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.1 m -95.04 98.96 11.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.801 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -97.79 151.07 20.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 65.4 m -129.24 130.02 45.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.496 HD13 HD13 ' A' ' 57' ' ' LEU . 21.4 mt -121.48 147.66 45.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.58 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 72.2 m-85 -115.14 131.4 56.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.615 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 0.1 OUTLIER -95.15 152.48 18.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.883 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.472 ' N ' ' CD1' ' A' ' 85' ' ' PHE . 8.0 tpt180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.1 m80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.813 0.339 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 4.0 m-85 -87.56 137.63 32.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -99.58 110.34 22.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.458 HG22 ' HB3' ' A' ' 81' ' ' ALA . 97.3 t -120.0 116.31 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.095 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.7 pm0 -107.61 102.59 11.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.5 mt -76.22 105.81 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.557 HD23 ' HA ' ' A' ' 23' ' ' LYS . 55.3 mt -107.15 174.4 5.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.431 ' OD2' HG22 ' A' ' 20' ' ' THR . 25.2 t0 -90.81 157.54 17.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.44 0.37 56.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -120.01 -69.12 0.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.665 HG23 ' HG2' ' A' ' 22' ' ' GLU . 5.1 t -90.03 -2.81 58.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.138 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.8 mtt85 44.06 25.71 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.665 ' HG2' HG23 ' A' ' 20' ' ' THR . 13.0 pt-20 -71.0 131.41 43.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.557 ' HA ' HD23 ' A' ' 16' ' ' LEU . 2.7 tppt? -53.34 115.67 2.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.0 mt -99.39 -46.33 5.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.0 t -153.31 150.92 29.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -132.54 108.03 8.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.7 mt -108.27 100.89 10.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.4 p30 -98.26 15.2 25.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -130.38 42.22 3.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.46 HG11 HD11 ' A' ' 72' ' ' LEU . 21.8 t -97.96 150.02 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -88.4 148.57 42.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.595 0.712 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.551 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.7 Cg_endo -69.78 -39.78 6.08 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.339 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -75.44 -6.63 51.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.75 132.09 48.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.0 p -93.57 157.63 16.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.422 ' CG2' ' HE3' ' A' ' 40' ' ' LYS . 27.6 mm -44.57 -41.17 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.1 -47.72 61.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.6 -50.48 69.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.681 ' HA ' HD12 ' A' ' 42' ' ' LEU . 47.4 mm -42.49 -49.05 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.422 ' HE3' ' CG2' ' A' ' 36' ' ' ILE . 1.9 mptm? -53.28 -45.41 68.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -57.79 -53.11 61.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' A' ' 39' ' ' ILE . 17.2 mt -44.83 -48.82 11.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.532 ' CE1' ' NE2' ' A' ' 55' ' ' GLN . 4.3 t80 -62.09 -42.58 99.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 45' ' ' LYS . 3.3 m -56.84 -41.87 78.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 44' ' ' THR . 30.8 mtpt -34.9 -66.3 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 40.8 m -62.97 -52.19 63.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.419 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 30.0 m-70 -108.03 93.66 11.35 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.538 0.685 . . . . 0.0 110.836 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 54.0 Cg_endo -69.78 -41.45 4.24 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.718 2.279 . . . . 0.0 112.34 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -49.35 -33.12 12.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 15.2 m0 -84.83 99.06 10.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -77.99 160.38 73.95 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.65 0.738 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -30.33 22.49 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.269 . . . . 0.0 112.348 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.36 -24.21 59.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -100.56 -58.27 1.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.532 ' NE2' ' CE1' ' A' ' 43' ' ' PHE . 40.5 mt-30 -46.04 106.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 t -103.16 137.92 40.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.418 ' C ' ' HG3' ' A' ' 58' ' ' ARG . 82.3 mt -120.54 144.28 48.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.418 ' HG3' ' C ' ' A' ' 57' ' ' LEU . 5.4 mtt-85 -144.91 138.66 27.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.506 ' HG ' HD11 ' A' ' 66' ' ' LEU . 11.3 mt -63.09 -18.2 63.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -154.76 152.96 26.86 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.618 0.723 . . . . 0.0 110.87 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.556 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 54.0 Cg_endo -69.75 -15.47 37.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 0.0 112.346 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -123.72 31.36 5.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -113.69 -122.54 3.84 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.481 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -142.14 179.96 6.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.77 0.319 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.7 p -78.61 139.82 38.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.506 HD11 ' HG ' ' A' ' 59' ' ' LEU . 8.7 mt -82.64 159.13 22.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -128.1 152.47 47.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.945 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -42.87 -49.87 5.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.833 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 68' ' ' ASP . 11.8 pt-20 -36.31 -35.49 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -66.58 144.32 56.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 32' ' ' PRO . 2.8 t -132.65 151.3 34.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.46 HD11 HG11 ' A' ' 30' ' ' VAL . 12.5 mt -62.6 -12.32 22.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -110.92 -12.65 14.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.1 mmtt -99.82 -29.04 12.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.959 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.829 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -60.24 155.34 46.87 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.606 0.717 . . . . 0.0 110.916 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 25.31 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.649 2.233 . . . . 0.0 112.325 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.808 HG11 ' HA ' ' A' ' 81' ' ' ALA . 4.4 t -120.87 170.74 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.637 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -111.57 -161.42 16.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.472 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.9 p -41.31 -41.79 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.921 0.391 . . . . 0.0 111.161 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.3 m -94.08 91.17 6.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.808 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -94.41 150.11 20.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.5 m -127.42 121.45 30.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.16 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 17.8 mt -117.19 135.68 53.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.556 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 96.8 m-85 -101.82 141.4 34.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.554 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 0.6 OUTLIER -95.72 134.25 38.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.908 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.601 ' CD2' ' O ' ' A' ' 30' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.762 0.315 . . . . 0.0 110.854 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.526 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 6.8 m-85 -59.92 131.11 49.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 18.3 mp0 -97.22 109.95 22.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.542 ' CG2' HG21 ' A' ' 30' ' ' VAL . 46.9 t -117.44 111.62 35.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.142 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -112.22 109.54 19.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 98.1 mt -82.71 98.02 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 23' ' ' LYS . 27.1 mt -94.29 167.52 11.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -84.54 153.09 23.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.79 6.59 43.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -127.71 -56.79 1.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.5 p -95.56 -11.3 27.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 48.21 49.54 17.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -107.06 139.99 40.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.417 ' HA ' HD23 ' A' ' 16' ' ' LEU . 5.5 tppt? -57.72 109.74 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.4 mt -98.24 -37.06 9.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.8 t -152.31 128.51 10.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -116.29 110.97 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.7 mt -111.96 99.8 8.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -89.84 8.89 29.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -133.06 62.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.601 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 7.4 t -106.57 146.31 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.502 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 55.9 mt-10 -83.12 142.42 44.22 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.62 0.724 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.526 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.79 -30.08 22.72 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.667 2.244 . . . . 0.0 112.376 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -87.45 -7.53 57.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.502 ' HB2' ' HB2' ' A' ' 31' ' ' GLU . . . -65.95 126.66 29.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.091 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.495 HG22 HG22 ' A' ' 71' ' ' VAL . 68.9 p -86.81 164.51 16.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.101 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.484 HG22 ' HE3' ' A' ' 40' ' ' LYS . 26.8 mm -48.96 -39.57 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.96 -44.64 70.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -67.99 -44.11 77.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.511 ' HA ' HD12 ' A' ' 42' ' ' LEU . 50.3 mm -47.75 -51.77 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.578 ' CE ' HD12 ' A' ' 57' ' ' LEU . 2.0 mptm? -51.08 -47.36 61.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -54.69 -57.76 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 39' ' ' ILE . 32.2 mt -40.4 -39.76 1.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.715 ' CE1' ' NE2' ' A' ' 55' ' ' GLN . 4.9 t80 -70.96 -52.45 19.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 45' ' ' LYS . 6.8 m -45.67 -40.9 9.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.125 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 44' ' ' THR . 22.8 mtmt -34.99 -67.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.545 ' CG2' ' N ' ' A' ' 47' ' ' HIS . 1.1 t -58.49 -47.21 84.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.13 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.545 ' N ' ' CG2' ' A' ' 46' ' ' THR . 6.0 m-70 -114.48 94.55 36.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.531 0.682 . . . . 0.0 110.833 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.8 Cg_endo -69.78 -27.75 26.0 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 -67.66 -27.0 66.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -87.47 85.66 7.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -64.95 159.91 60.16 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.699 0.761 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -40.24 5.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -45.85 -27.86 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.8 ttt85 -98.51 -55.6 2.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.715 ' NE2' ' CE1' ' A' ' 43' ' ' PHE . 39.9 mt-30 -49.92 94.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 m -90.74 141.15 29.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.737 HD13 HD13 ' A' ' 83' ' ' LEU . 80.7 mt -124.92 141.55 52.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -146.46 161.11 41.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.448 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 4.9 mt -79.19 -6.85 57.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 59' ' ' LEU . 8.4 m-20 -173.39 147.73 1.46 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.568 0.699 . . . . 0.0 110.89 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.582 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.8 Cg_endo -69.73 -3.74 12.59 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.71 2.273 . . . . 0.0 112.372 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -124.8 22.13 8.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -114.96 -142.13 7.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.77 145.36 49.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.733 0.301 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 90.1 p -44.96 141.34 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.427 HD22 ' OD2' ' A' ' 70' ' ' ASP . 10.5 mt -81.32 160.48 24.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -116.46 153.96 31.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.43 -32.67 65.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.831 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -55.46 -21.89 18.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.427 ' OD2' HD22 ' A' ' 66' ' ' LEU . 65.1 m-20 -70.93 156.76 39.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.58 HG23 ' HE3' ' A' ' 74' ' ' LYS . 7.5 t -145.15 156.44 13.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 72' ' ' LEU . 10.6 mt -68.21 -10.41 54.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -109.86 -11.36 14.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.58 ' HE3' HG23 ' A' ' 71' ' ' VAL . 4.4 mtmp? -107.16 -25.16 11.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.881 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -62.46 154.39 72.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.72 . . . . 0.0 110.904 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 24.98 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.803 HG11 ' HA ' ' A' ' 81' ' ' ALA . 5.1 t -118.33 170.04 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.176 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.607 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -108.15 -167.32 21.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.449 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 78' ' ' GLY . 13.1 p -34.06 -42.47 0.13 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.897 0.38 . . . . 0.0 111.155 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.6 m -96.01 105.48 17.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.803 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -97.12 146.56 24.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 50.3 m -127.04 115.08 18.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.737 HD13 HD13 ' A' ' 57' ' ' LEU . 88.8 mt -108.19 154.99 20.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.582 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 64.5 m-85 -118.56 137.38 53.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.518 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 1.5 t80 -94.67 130.08 41.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.905 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.79 0.329 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.561 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -92.87 138.16 31.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -100.43 110.05 22.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.579 HG22 ' HB3' ' A' ' 81' ' ' ALA . 92.1 t -117.82 120.06 63.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -109.15 104.86 14.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.9 mt -78.92 98.34 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 23' ' ' LYS . 17.9 mt -97.77 169.54 9.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -86.98 153.72 21.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.99 6.7 41.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -125.64 -62.3 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.5 p -93.64 -6.28 46.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.8 mtm-85 44.74 47.59 8.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.823 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -100.76 142.29 32.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.458 ' HA ' HD23 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -63.72 111.13 2.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.3 mt -97.72 -33.83 11.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.0 t -160.74 144.56 13.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -127.67 107.78 10.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.3 mt -104.57 96.15 6.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -97.0 20.82 10.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -133.63 34.43 3.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.5 HG11 HD11 ' A' ' 72' ' ' LEU . 15.1 t -93.48 146.13 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -85.06 152.41 58.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.671 0.748 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.561 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 54.2 Cg_endo -69.69 -38.34 8.09 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.714 2.276 . . . . 0.0 112.366 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.1 p-80 -78.45 -8.11 58.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.79 128.55 36.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 36' ' ' ILE . 72.5 p -91.64 148.26 22.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.206 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.645 HG22 ' NZ ' ' A' ' 40' ' ' LYS . 29.5 mm -35.43 -42.14 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.135 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.81 -52.26 19.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -62.95 -34.16 76.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.804 ' HA ' HD12 ' A' ' 42' ' ' LEU . 33.0 mm -55.64 -61.86 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.645 ' NZ ' HG22 ' A' ' 36' ' ' ILE . 4.3 mppt? -44.64 -46.55 10.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -54.56 -54.94 34.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.804 HD12 ' HA ' ' A' ' 39' ' ' ILE . 8.5 mt -46.12 -45.12 16.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.461 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 4.7 t80 -66.68 -32.35 73.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 45' ' ' LYS . 18.1 m -67.33 -41.24 85.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 44' ' ' THR . 35.7 mtmt -35.07 -69.15 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.2 m -54.22 -53.45 53.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.435 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 24.8 m-70 -109.51 96.65 23.74 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.594 0.712 . . . . 0.0 110.878 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 54.1 Cg_endo -69.73 -38.97 7.13 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.71 2.274 . . . . 0.0 112.347 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -53.62 -33.29 54.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -83.72 110.5 18.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.515 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -92.17 161.93 31.71 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.72 0.771 . . . . 0.0 110.896 -179.861 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -26.24 27.66 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.424 ' HB3' ' HD2' ' A' ' 51' ' ' TYR . . . -57.99 -14.13 5.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.515 ' HD2' ' CZ ' ' A' ' 51' ' ' TYR . 37.6 mtt180 -106.93 -62.32 1.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' ARG . 70.5 mt-30 -38.15 109.19 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.8 t -102.52 104.08 14.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.518 HD13 HD13 ' A' ' 83' ' ' LEU . 84.0 mt -88.84 141.23 28.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.431 ' HG3' ' C ' ' A' ' 57' ' ' LEU . 4.4 mtt180 -152.77 129.43 10.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.464 ' HG ' HD11 ' A' ' 66' ' ' LEU . 7.8 mt -55.05 -20.02 8.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -148.67 151.36 35.53 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.658 0.742 . . . . 0.0 110.857 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.555 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 54.2 Cg_endo -69.78 -12.2 32.37 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.59 21.67 8.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -102.21 -130.65 7.08 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.503 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -133.94 178.13 7.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.753 0.311 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.9 p -76.16 136.55 39.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.464 HD11 ' HG ' ' A' ' 59' ' ' LEU . 8.4 mt -81.56 159.53 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -122.38 160.54 25.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -53.92 -44.65 70.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -41.42 -31.39 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -66.88 143.31 56.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.0 t -128.25 151.74 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.5 HD11 HG11 ' A' ' 30' ' ' VAL . 12.5 mt -64.07 -10.16 20.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -112.38 -22.12 11.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -90.12 -29.8 18.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.837 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -58.62 155.23 30.66 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.609 0.719 . . . . 0.0 110.947 179.888 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 25.46 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.697 2.264 . . . . 0.0 112.287 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.778 HG11 ' HA ' ' A' ' 81' ' ' ALA . 8.1 t -120.07 169.39 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.591 ' N ' HG12 ' A' ' 77' ' ' VAL . . . -109.25 -167.1 20.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.509 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 78' ' ' GLY . 17.4 p -35.15 -47.92 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 111.13 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.2 m -89.33 95.68 10.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.778 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -95.43 147.75 23.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.058 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.9 m -126.61 130.32 50.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.518 HD13 HD13 ' A' ' 57' ' ' LEU . 63.0 mt -123.46 143.61 50.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.555 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 87.4 m-85 -109.58 133.69 52.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.566 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 0.6 OUTLIER -99.62 139.81 34.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.5 tpp85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 -179.934 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.3 m80 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.806 0.336 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.541 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 4.3 m-85 -94.11 143.53 26.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -105.49 110.06 22.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.454 HG22 ' HB3' ' A' ' 81' ' ' ALA . 74.2 t -117.08 105.69 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -98.23 102.55 14.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.7 mt -78.02 98.5 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.17 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.495 HD23 ' HA ' ' A' ' 23' ' ' LYS . 10.2 mt -100.07 171.47 7.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.452 ' OD2' HG22 ' A' ' 20' ' ' THR . 19.5 t0 -88.04 157.35 18.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.817 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.434 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . -87.11 -0.52 56.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.079 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -118.56 -75.35 0.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.952 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.707 HG23 ' H ' ' A' ' 22' ' ' GLU . 9.0 t -78.82 -18.77 53.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.198 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.443 ' O ' HD22 ' A' ' 16' ' ' LEU . 12.0 mtm180 60.32 28.97 18.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.707 ' H ' HG23 ' A' ' 20' ' ' THR . 71.2 mt-10 -75.26 139.89 42.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.495 ' HA ' HD23 ' A' ' 16' ' ' LEU . 3.8 tppp? -63.72 107.03 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.8 mt -92.26 -43.24 9.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t -151.42 145.53 25.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -132.89 99.23 4.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.7 mt -97.89 105.02 17.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.97 8.73 43.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -125.96 46.14 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.534 HG11 HD11 ' A' ' 72' ' ' LEU . 60.8 t -102.06 148.35 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -85.36 146.68 45.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.637 0.732 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.541 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.75 -34.84 13.81 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.645 2.23 . . . . 0.0 112.35 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.467 ' HA ' ' NE2' ' A' ' 73' ' ' GLN . 12.7 p-80 -82.3 1.11 38.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.67 131.28 42.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.459 HG22 HG22 ' A' ' 71' ' ' VAL . 73.6 p -89.8 155.1 19.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.191 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.579 HG22 ' HE2' ' A' ' 40' ' ' LYS . 44.0 mm -44.51 -41.07 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.11 -45.63 53.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -65.66 -47.08 76.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.628 ' HA ' HD12 ' A' ' 42' ' ' LEU . 38.4 mm -46.51 -49.68 5.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.579 ' HE2' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -50.98 -47.47 61.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.83 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -54.36 -56.57 17.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.628 HD12 ' HA ' ' A' ' 39' ' ' ILE . 10.7 mt -41.13 -56.97 2.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.522 ' CD1' ' NE2' ' A' ' 55' ' ' GLN . 4.5 t80 -54.81 -39.48 68.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.2 m -63.32 -39.42 94.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -37.28 -65.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.6 m -59.1 -60.94 3.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.186 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.438 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 36.8 m80 -102.44 96.9 7.89 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.606 0.717 . . . . 0.0 110.845 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.6 Cg_endo -69.8 -39.06 6.88 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.343 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -51.15 -30.77 17.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.4 ' N ' ' CD1' ' A' ' 50' ' ' TRP . 15.7 m0 -87.28 110.18 20.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.5 OUTLIER -88.47 161.19 43.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.681 0.753 . . . . 0.0 110.904 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -29.35 24.05 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.89 -25.44 65.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.576 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 25.5 ttt180 -93.25 -64.25 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.522 ' NE2' ' CD1' ' A' ' 43' ' ' PHE . 40.6 mt-30 -42.15 110.19 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.2 t -101.73 121.36 41.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.401 HD13 HD13 ' A' ' 83' ' ' LEU . 92.8 mt -105.92 148.42 27.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -156.69 135.85 12.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.754 HD21 HD21 ' A' ' 66' ' ' LEU . 5.7 mt -59.6 -15.6 19.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -158.07 150.63 17.93 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.604 0.716 . . . . 0.0 110.847 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.559 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.5 Cg_endo -69.8 -9.57 26.41 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.333 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -129.42 30.6 4.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -116.05 -122.27 3.43 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -138.17 174.35 10.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.5 t -79.39 141.05 37.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.754 HD21 HD21 ' A' ' 59' ' ' LEU . 7.0 mt -80.98 158.33 25.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -125.39 159.59 31.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -51.79 -38.74 56.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -47.33 -36.53 9.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.72 151.11 47.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.579 HG23 ' HE2' ' A' ' 74' ' ' LYS . 5.8 t -137.96 155.54 30.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.534 HD11 HG11 ' A' ' 30' ' ' VAL . 16.2 mt -67.33 -8.5 32.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.467 ' NE2' ' HA ' ' A' ' 33' ' ' HIS . 18.4 pt20 -113.31 -14.11 12.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.579 ' HE2' HG23 ' A' ' 71' ' ' VAL . 30.2 mtmt -103.45 -25.56 13.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.866 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -59.94 154.84 46.63 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.606 0.717 . . . . 0.0 110.911 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 24.94 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.665 2.244 . . . . 0.0 112.339 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.764 HG11 ' HA ' ' A' ' 81' ' ' ALA . 6.1 t -118.88 169.86 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.597 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -110.54 -166.31 19.22 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 78' ' ' GLY . 6.6 p -36.03 -43.38 0.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 111.164 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 28.3 m -92.48 97.08 10.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.764 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -97.1 145.45 25.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.2 m -130.17 129.33 43.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.401 HD13 HD13 ' A' ' 57' ' ' LEU . 21.0 mt -121.64 138.58 54.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.559 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 90.6 m-85 -101.37 139.28 37.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.513 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 1.5 t80 -98.99 129.68 45.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.882 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.9 m80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.873 0.368 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.8 m-85 -91.78 146.59 23.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -106.44 110.05 22.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.473 HG22 ' HB3' ' A' ' 81' ' ' ALA . 95.9 t -119.44 113.03 39.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -106.63 103.26 12.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 92.6 mt -78.19 99.04 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 23' ' ' LYS . 23.0 mt -98.33 169.52 9.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -83.64 157.29 22.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.17 -4.97 58.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.065 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -115.57 -72.65 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.2 p -78.87 -13.87 59.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 49.85 51.44 16.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -105.06 144.89 31.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.475 ' HA ' HD23 ' A' ' 16' ' ' LEU . 3.4 tppp? -60.9 108.39 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.6 mt -96.4 -39.9 9.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t -153.5 137.79 16.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -124.2 108.88 12.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.7 mt -108.73 93.93 4.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -90.41 10.5 24.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -125.88 41.72 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.562 HG11 HD11 ' A' ' 72' ' ' LEU . 24.4 t -96.86 147.43 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -85.44 149.19 51.37 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.665 0.745 . . . . 0.0 110.839 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.567 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.83 -32.21 18.73 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.334 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -82.14 -13.33 57.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.828 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.44 124.7 20.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.5 p -85.85 164.74 17.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.469 ' CG1' ' HB2' ' A' ' 70' ' ' ASP . 42.6 mm -51.02 -42.56 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.04 -47.64 53.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -63.58 -47.91 79.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 40.5 mm -46.16 -47.78 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.104 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.442 ' NZ ' ' O ' ' A' ' 55' ' ' GLN . 16.1 mttm -56.19 -44.82 79.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -54.99 -53.47 55.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 45' ' ' LYS . 15.1 mt -45.19 -64.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.421 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 4.4 t80 -40.34 -34.83 0.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 45' ' ' LYS . 5.7 m -66.24 -41.72 89.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 42' ' ' LEU . 8.0 mtpm? -34.67 -63.72 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.1 m -59.89 -60.37 3.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.441 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 54.6 m-70 -105.52 99.5 21.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.562 0.696 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.6 Cg_endo -69.77 -43.36 2.7 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.734 2.289 . . . . 0.0 112.314 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -48.59 -36.82 16.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 18.0 m0 -80.89 82.13 6.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.62 162.14 5.23 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.661 0.743 . . . . 0.0 110.929 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -21.58 33.04 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.659 2.24 . . . . 0.0 112.338 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.81 -12.01 15.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 56' ' ' SER . 25.5 mtp180 -106.11 -55.44 2.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.442 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . 59.9 mt-30 -37.12 94.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.955 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 54' ' ' ARG . 36.9 m -98.12 106.94 19.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.411 HD13 HD13 ' A' ' 83' ' ' LEU . 39.8 mt -97.69 141.43 30.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -147.86 135.56 20.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.654 ' HG ' HD21 ' A' ' 66' ' ' LEU . 35.1 mt -57.98 -19.61 31.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -155.7 151.55 22.34 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.616 0.722 . . . . 0.0 110.851 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.515 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.8 Cg_endo -69.76 -5.5 16.37 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.325 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -126.35 22.0 7.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -108.17 -144.86 11.34 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.77 148.65 50.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.807 0.337 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.8 p -39.78 143.17 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.654 HD21 ' HG ' ' A' ' 59' ' ' LEU . 8.7 mt -83.13 155.49 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -110.38 146.02 36.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -48.81 -36.59 17.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.834 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -48.4 -32.59 7.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.469 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 4.4 m-20 -62.63 150.86 39.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -137.62 152.24 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.166 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.562 HD11 HG11 ' A' ' 30' ' ' VAL . 16.6 mt -64.67 -12.91 51.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -110.29 -14.22 14.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.0 mmtt -98.78 -28.5 13.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.835 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -59.25 155.46 35.26 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.621 0.724 . . . . 0.0 110.906 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 25.25 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.802 HG11 ' HA ' ' A' ' 81' ' ' ALA . 6.6 t -119.44 168.09 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.569 ' N ' HG12 ' A' ' 77' ' ' VAL . . . -102.8 -149.57 21.66 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.9 p -57.75 -25.57 60.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.857 0.36 . . . . 0.0 111.179 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 55.8 m -104.68 90.31 3.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.802 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -91.73 142.82 27.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.0 m -122.91 124.96 44.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.411 HD13 HD13 ' A' ' 57' ' ' LEU . 18.4 mt -117.91 141.78 48.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.515 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 87.8 m-85 -106.43 132.7 52.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.475 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 1.6 t80 -95.84 140.67 30.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.922 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 3' ' ' SER . 43.9 t -101.53 -48.61 4.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.9 0.381 . . . . 0.0 110.848 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 2' ' ' SER . 84.2 p 34.55 42.92 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.37 140.92 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.526 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -154.79 142.88 20.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.927 0.394 . . . . 0.0 110.811 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -88.75 127.2 35.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.822 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.64 121.63 7.02 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -104.94 124.11 48.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.898 0.38 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -95.13 44.04 1.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -79.22 173.35 12.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -90.88 146.38 23.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.432 ' HG2' ' CG ' ' A' ' 28' ' ' ASP . 28.2 mt-10 -107.39 110.6 22.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.583 HG22 ' HB3' ' A' ' 81' ' ' ALA . 87.5 t -119.28 109.45 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 pm0 -100.34 101.5 12.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.9 mt -75.27 100.66 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 23' ' ' LYS . 35.0 mt -99.07 168.93 9.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -84.97 156.91 20.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.72 3.17 55.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.62 -64.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.3 p -89.74 -4.79 57.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 41.19 46.13 2.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -99.42 139.68 34.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.465 ' HA ' HD23 ' A' ' 16' ' ' LEU . 2.5 tppp? -58.32 113.13 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.1 mt -101.11 -40.08 7.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.5 t -153.71 142.89 21.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -126.0 111.53 14.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.8 mt -109.79 92.58 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.432 ' CG ' ' HG2' ' A' ' 12' ' ' GLU . 13.2 t0 -91.8 13.73 17.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -127.98 43.55 3.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.607 HG11 HD11 ' A' ' 72' ' ' LEU . 40.5 t -100.55 145.75 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 9.6 mm-40 -83.22 148.07 55.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.64 0.733 . . . . 0.0 110.854 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.565 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.73 -39.28 6.75 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.698 2.266 . . . . 0.0 112.35 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 -77.4 -8.53 57.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.414 ' HB2' ' HB2' ' A' ' 31' ' ' GLU . . . -64.23 129.59 40.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.474 HG22 HG22 ' A' ' 71' ' ' VAL . 76.5 p -85.41 154.67 21.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.655 HG22 ' NZ ' ' A' ' 40' ' ' LYS . 50.5 mm -41.79 -42.87 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.696 ' HB2' ' HB2' ' A' ' 68' ' ' ASP . . . -49.81 -50.78 43.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -58.59 -42.63 88.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.4 mm -46.44 -50.16 5.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.655 ' NZ ' HG22 ' A' ' 36' ' ' ILE . 1.3 mptt -53.61 -52.37 60.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -45.65 -48.9 14.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.1 mt -51.09 -63.37 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.437 ' CG ' ' OE1' ' A' ' 55' ' ' GLN . 9.3 t80 -44.69 -31.63 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 45' ' ' LYS . 1.8 m -67.6 -41.83 83.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 44' ' ' THR . 66.8 mttm -36.89 -68.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.5 m -56.9 -57.12 13.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -106.08 93.82 8.41 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.614 0.721 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -36.52 10.85 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.699 2.266 . . . . 0.0 112.394 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -54.63 -29.93 53.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 17.0 m0 -87.21 114.54 23.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.52 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -91.52 161.87 33.18 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.659 0.742 . . . . 0.0 110.946 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -30.86 21.49 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.88 -17.58 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.52 ' HD2' ' CZ ' ' A' ' 51' ' ' TYR . 36.4 mtt180 -103.73 -62.13 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.437 ' OE1' ' CG ' ' A' ' 43' ' ' PHE . 57.5 mt-30 -38.14 109.88 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.435 ' HB2' HD21 ' A' ' 88' ' ' LEU . 19.8 t -109.92 110.95 22.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.532 HD13 HD13 ' A' ' 83' ' ' LEU . 61.2 mt -94.57 144.37 25.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.426 ' HG3' ' C ' ' A' ' 57' ' ' LEU . 4.5 mtt-85 -149.27 131.82 15.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.1 mt -55.64 -24.66 34.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -148.7 153.05 38.88 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.606 0.717 . . . . 0.0 110.883 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.531 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.4 Cg_endo -69.79 -8.81 24.54 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.315 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -131.18 28.82 4.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -111.76 -122.12 4.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -138.76 177.26 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.4 p -78.68 135.61 37.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 mt -73.23 159.01 34.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -129.12 143.91 51.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.696 ' HB2' ' HB2' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -37.07 -46.41 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' ASP . 10.4 pt-20 -34.98 -46.45 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -62.09 147.85 46.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.474 HG22 HG22 ' A' ' 35' ' ' THR . 13.1 t -131.62 156.03 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.165 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.607 HD11 HG11 ' A' ' 30' ' ' VAL . 13.3 mt -64.23 -10.63 24.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.414 ' HG2' ' CG1' ' A' ' 71' ' ' VAL . 15.5 pt20 -112.01 -19.44 12.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -93.17 -28.94 15.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.866 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -59.46 154.9 41.08 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.731 . . . . 0.0 110.907 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 24.9 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.652 2.235 . . . . 0.0 112.327 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.832 HG11 ' HA ' ' A' ' 81' ' ' ALA . 3.9 t -119.13 170.88 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.639 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -107.57 -151.18 16.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 34.1 p -51.47 -39.2 57.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.367 . . . . 0.0 111.127 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.4 m -97.46 96.56 8.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.205 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.832 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -94.1 148.7 21.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.076 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.8 m -124.97 124.96 43.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.532 HD13 HD13 ' A' ' 57' ' ' LEU . 26.6 mt -119.47 141.52 49.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.531 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 83.3 m-85 -105.31 132.54 51.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.57 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 0.6 OUTLIER -97.25 145.83 25.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.431 ' O ' HD22 ' A' ' 88' ' ' LEU . 11.6 tpt180 -135.97 118.42 15.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.08 131.48 47.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 54' ' ' ARG . 4.4 mm? . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.5 t -126.88 111.0 13.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.837 0.351 . . . . 0.0 110.827 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t -71.44 103.93 3.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.92 171.99 13.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 m -60.01 164.95 3.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.848 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.4 p -83.37 98.73 9.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.13 131.81 12.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 88.5 mtp -140.21 117.13 11.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.362 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.98 92.6 3.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -119.59 179.26 4.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.506 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 4.2 m-85 -92.05 139.64 30.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -102.75 110.09 21.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.1 t -117.81 120.68 65.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -113.03 106.31 14.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.7 mt -80.24 100.53 4.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.3 mt -98.16 169.78 9.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -87.3 156.65 19.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.98 3.39 54.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -124.72 -60.06 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.5 p -93.49 -6.97 45.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 43.93 47.68 7.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -102.13 141.93 34.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -64.12 110.32 2.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.3 mt -97.61 -30.94 12.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t -155.0 144.01 20.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.551 ' CE2' ' OD1' ' A' ' 28' ' ' ASP . 28.2 t80 -129.26 108.16 10.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.0 mt -109.91 102.36 11.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.551 ' OD1' ' CE2' ' A' ' 26' ' ' PHE . 7.4 m-20 -99.53 2.11 44.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -118.29 42.63 2.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.2 t -95.38 149.74 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -90.24 147.01 35.91 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.64 0.733 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.506 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.76 -30.91 21.54 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.702 2.268 . . . . 0.0 112.357 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -84.09 -5.66 59.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.0 126.77 30.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.465 HG22 HG22 ' A' ' 71' ' ' VAL . 81.3 p -85.8 157.06 20.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.5 mm -46.03 -42.06 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.07 -45.07 64.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.129 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -65.42 -43.19 91.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.4 mm -51.27 -52.44 19.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.431 ' HE2' HD12 ' A' ' 57' ' ' LEU . 22.8 mttm -51.66 -41.48 61.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 -59.89 -49.51 77.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.5 mt -47.98 -58.18 4.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -49.63 -31.53 11.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 45' ' ' LYS . 2.9 m -66.43 -41.88 88.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 44' ' ' THR . 37.5 mtpt -34.97 -69.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.1 m -58.74 -54.76 43.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.165 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 51.5 m-70 -104.96 91.77 4.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.642 0.734 . . . . 0.0 110.856 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -33.22 17.28 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.717 2.278 . . . . 0.0 112.369 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -57.07 -31.17 64.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -86.3 116.11 24.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.545 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.4 OUTLIER -95.29 159.79 32.09 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.683 0.754 . . . . 0.0 110.918 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -22.56 31.96 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.662 2.241 . . . . 0.0 112.375 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.26 -26.18 61.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.545 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 7.4 ttm180 -95.35 -35.92 11.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -72.45 132.07 43.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.6 t -119.7 125.45 48.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.431 HD12 ' HE2' ' A' ' 40' ' ' LYS . 93.0 mt -110.9 141.22 44.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -149.84 139.52 21.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.751 HD21 HD21 ' A' ' 66' ' ' LEU . 4.0 mt -62.2 -27.28 68.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.87 151.74 60.42 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.605 0.717 . . . . 0.0 110.876 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.502 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.5 Cg_endo -69.74 -15.3 37.1 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.335 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -124.84 22.72 8.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -101.91 -124.79 5.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.3 ptmm? -138.1 175.62 9.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 83.8 p -75.72 133.99 40.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.751 HD21 HD21 ' A' ' 59' ' ' LEU . 7.9 mt -72.26 154.74 40.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 67' ' ' LYS . 1.7 mppt? -117.83 149.64 40.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -48.88 -46.32 42.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -41.59 -35.16 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.45 145.5 55.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.465 HG22 HG22 ' A' ' 35' ' ' THR . 6.6 t -133.76 159.32 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.44 ' N ' HG12 ' A' ' 71' ' ' VAL . 12.2 mt -68.26 -11.21 59.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -113.03 -4.28 13.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.402 ' NZ ' HG21 ' A' ' 71' ' ' VAL . 20.7 mttp -114.05 -25.06 8.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.817 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -60.03 155.42 44.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.55 0.69 . . . . 0.0 110.984 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 25.46 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.676 2.251 . . . . 0.0 112.347 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.755 HG11 ' HA ' ' A' ' 81' ' ' ALA . 6.8 t -120.66 169.78 11.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.186 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.592 ' N ' HG12 ' A' ' 77' ' ' VAL . . . -103.62 -154.47 23.96 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.538 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.9 p -50.8 -45.23 59.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 111.12 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.6 m -91.35 93.89 9.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.755 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -93.72 141.35 28.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.9 m -122.15 128.91 51.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 30.3 mt -120.85 143.89 48.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.502 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 88.3 m-85 -106.01 137.91 43.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.541 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -95.0 142.97 26.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -136.56 128.74 29.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -74.64 128.73 36.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.937 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.2 m -110.59 174.16 5.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 110.849 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.0 p -42.47 119.28 1.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.07 -157.81 16.61 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 m -119.37 147.46 44.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 0.0 110.828 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -124.94 159.62 30.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.801 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.54 118.83 4.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.445 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.8 tpp -91.88 144.46 25.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -88.34 79.73 7.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -77.81 176.75 8.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.546 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 4.4 m-85 -85.59 138.33 32.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -102.98 109.91 21.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.568 HG22 ' HB3' ' A' ' 81' ' ' ALA . 98.7 t -115.35 111.78 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.429 ' OE1' ' NZ ' ' A' ' 23' ' ' LYS . 5.5 pt-20 -104.5 99.57 9.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.7 mt -77.46 106.41 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.9 mt -102.75 172.5 6.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -90.21 157.11 17.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.02 2.81 56.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -121.38 -63.8 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.3 p -92.46 -9.4 41.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.0 mtm180 48.12 50.53 16.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -105.46 137.47 43.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.429 ' NZ ' ' OE1' ' A' ' 14' ' ' GLU . 4.3 tppt? -60.88 106.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.6 mt -94.86 -31.7 13.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t -151.68 132.35 13.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -122.74 106.33 10.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.3 mt -107.35 102.19 11.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 11.7 t0 -99.67 10.8 40.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -125.41 35.29 4.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.536 HG11 HD11 ' A' ' 72' ' ' LEU . 19.6 t -90.35 156.34 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.065 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' N ' HG12 ' A' ' 30' ' ' VAL . 39.0 mt-10 -96.5 149.23 35.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.546 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.74 -43.87 2.43 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.705 2.27 . . . . 0.0 112.373 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -72.43 -4.03 27.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.62 132.42 48.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.1 p -93.45 152.59 18.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.633 HG22 ' HE2' ' A' ' 40' ' ' LYS . 26.0 mm -41.19 -42.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.42 -46.83 56.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -66.01 -44.95 83.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.425 ' HA ' HD12 ' A' ' 42' ' ' LEU . 31.0 mm -50.22 -41.75 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.633 ' HE2' HG22 ' A' ' 36' ' ' ILE . 24.8 mttm -62.67 -41.68 99.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -57.01 -41.78 79.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.773 HD23 ' HE3' ' A' ' 45' ' ' LYS . 9.5 mt -57.78 -60.86 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.676 ' CE1' ' NE2' ' A' ' 55' ' ' GLN . 8.2 t80 -46.64 -35.01 5.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 45' ' ' LYS . 3.0 m -65.18 -44.47 88.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.773 ' HE3' HD23 ' A' ' 42' ' ' LEU . 7.9 mtmp? -34.45 -68.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.541 HG22 ' CD2' ' A' ' 47' ' ' HIS . 31.5 m -59.39 -55.34 35.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.541 ' CD2' HG22 ' A' ' 46' ' ' THR . 6.1 m170 -105.5 90.67 4.23 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.566 0.698 . . . . 0.0 110.891 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -31.25 21.3 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.678 2.252 . . . . 0.0 112.398 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -60.24 -30.55 69.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 16.3 m0 -87.17 97.48 10.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.488 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.9 OUTLIER -77.53 160.58 74.65 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.657 0.741 . . . . 0.0 110.94 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -24.85 28.97 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.36 -15.63 63.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.488 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 17.0 ttt85 -105.77 -50.67 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.676 ' NE2' ' CE1' ' A' ' 43' ' ' PHE . 42.1 mt-30 -53.97 121.52 8.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.0 t -111.49 115.48 29.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.464 HD12 ' HE2' ' A' ' 40' ' ' LYS . 65.8 mt -99.27 143.15 29.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -151.98 135.63 16.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.415 HD21 HD21 ' A' ' 66' ' ' LEU . 11.5 mt -56.31 -27.68 56.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -144.11 155.88 58.3 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.618 0.723 . . . . 0.0 110.831 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.485 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 53.4 Cg_endo -69.81 -6.49 18.76 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.71 2.273 . . . . 0.0 112.327 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.454 ' HE3' ' C ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -129.9 16.83 5.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -97.31 -121.26 4.16 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -148.0 175.9 10.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.75 0.31 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.9 t -72.74 137.31 45.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.415 HD21 HD21 ' A' ' 59' ' ' LEU . 5.7 mt -79.83 154.11 28.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -116.37 152.43 33.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.18 -40.55 16.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 70' ' ' ASP . 9.1 pt-20 -44.16 -39.14 4.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.4 ' N ' ' HG3' ' A' ' 69' ' ' GLU . 36.3 m-20 -62.98 148.32 47.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.0 t -134.62 155.26 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.536 HD11 HG11 ' A' ' 30' ' ' VAL . 12.3 mt -65.99 -8.8 24.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -113.56 -18.39 11.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -96.34 -27.42 14.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.855 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -58.71 155.1 32.23 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.704 . . . . 0.0 110.948 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 25.02 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.318 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.841 HG11 ' HA ' ' A' ' 81' ' ' ALA . 5.3 t -119.23 170.11 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.607 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -110.13 -165.31 19.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.536 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 78' ' ' GLY . 13.8 p -36.28 -43.19 0.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 111.138 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 89.3 m -94.36 97.95 10.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.841 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -94.86 145.27 25.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.069 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.8 m -128.0 123.32 34.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 46.6 mt -118.8 152.91 35.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.485 ' CE1' ' HD3' ' A' ' 61' ' ' PRO . 92.6 m-85 -115.46 132.33 56.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.508 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 0.6 OUTLIER -94.96 141.01 29.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.1 tpp85 -137.06 131.31 32.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.441 ' OD2' ' NH2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -74.14 133.56 42.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.85 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.421 HD12 ' C ' ' A' ' 87' ' ' ASP . 11.2 mp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -132.49 170.34 15.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.884 0.373 . . . . 0.0 110.868 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 m -116.09 92.61 3.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.11 -82.93 1.27 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.468 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 t -68.68 114.14 6.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.885 0.374 . . . . 0.0 110.826 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -106.16 170.16 8.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.81 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.98 116.31 0.91 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.2 tpt -88.24 43.52 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.83 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? 59.02 47.07 12.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.1 m80 -101.16 179.96 4.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.83 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.537 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 4.3 m-85 -91.67 144.22 25.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -106.52 111.07 23.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.571 HG22 ' HB3' ' A' ' 81' ' ' ALA . 88.5 t -118.34 113.05 40.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -107.05 103.54 12.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 95.0 mt -79.15 101.25 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.569 HD23 ' HA ' ' A' ' 23' ' ' LYS . 15.9 mt -101.69 171.13 7.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -85.74 155.75 20.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.51 4.42 52.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.068 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -123.03 -65.01 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.7 p -90.73 -8.0 50.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 46.87 51.32 12.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -101.83 138.28 39.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.569 ' HA ' HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -58.29 105.87 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.3 mt -92.9 -38.39 11.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.405 ' HB2' ' CE2' ' A' ' 43' ' ' PHE . 1.8 t -153.64 148.87 26.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -135.78 105.92 6.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.0 mt -106.1 100.23 9.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 16.3 t0 -96.84 16.51 19.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -135.02 42.52 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.0 t -97.38 152.62 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -89.0 148.1 40.29 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.639 0.733 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.537 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.8 Cg_endo -69.74 -31.51 20.47 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.701 2.268 . . . . 0.0 112.327 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -82.4 -15.65 51.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.9 127.58 32.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.515 HG22 HG22 ' A' ' 71' ' ' VAL . 72.7 p -87.73 162.49 17.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.736 HG22 ' HE3' ' A' ' 40' ' ' LYS . 41.3 mm -49.31 -43.24 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.41 ' HB2' ' HB3' ' A' ' 68' ' ' ASP . . . -49.38 -48.69 46.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.19 -45.16 89.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 27.2 mm -48.72 -37.36 8.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.736 ' HE3' HG22 ' A' ' 36' ' ' ILE . 37.0 mttt -66.81 -41.89 86.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -56.77 -43.69 81.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.3 mt -55.79 -68.78 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.405 ' CE2' ' HB2' ' A' ' 25' ' ' CYS . 10.0 t80 -38.86 -47.51 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 45' ' ' LYS . 1.2 m -45.59 -45.72 13.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 44' ' ' THR . 5.8 mtpm? -35.67 -66.68 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.0 m -56.95 -50.52 72.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -112.8 97.77 42.59 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.585 0.707 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -36.41 10.89 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.639 2.226 . . . . 0.0 112.389 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -59.66 -31.41 69.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 13.7 m0 -81.59 93.43 6.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -75.19 160.21 80.7 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.641 0.734 . . . . 0.0 110.947 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -28.43 25.33 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.725 2.283 . . . . 0.0 112.368 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.14 -26.82 65.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -100.78 -45.62 5.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -48.81 98.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 t -98.8 131.59 44.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.433 ' C ' ' HG3' ' A' ' 58' ' ' ARG . 29.4 mt -117.41 144.38 45.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.433 ' HG3' ' C ' ' A' ' 57' ' ' LEU . 14.3 mtt-85 -148.2 135.56 20.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.44 ' HG ' HD21 ' A' ' 66' ' ' LEU . 15.6 mt -59.23 -22.13 60.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -151.31 153.3 32.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.595 0.712 . . . . 0.0 110.882 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.489 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.9 Cg_endo -69.75 -10.44 28.57 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -128.62 24.44 5.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -101.66 -123.37 5.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.511 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.404 ' C ' ' NH1' ' A' ' 58' ' ' ARG . 31.5 pttt -136.27 -176.23 4.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.785 0.326 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.8 p -83.73 125.07 31.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.44 HD21 ' HG ' ' A' ' 59' ' ' LEU . 9.7 mt -68.59 162.37 26.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -139.0 151.54 46.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 69' ' ' GLU . 13.7 p-10 -43.15 -49.46 6.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 68' ' ' ASP . 13.8 pt-20 -35.47 -37.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -65.67 148.75 51.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.515 HG22 HG22 ' A' ' 35' ' ' THR . 15.2 t -135.81 150.42 28.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.8 mt -60.8 -9.49 4.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -112.0 -20.35 12.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -90.39 -30.64 17.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.873 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -60.55 154.79 53.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.646 0.736 . . . . 0.0 110.887 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 25.0 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.667 2.245 . . . . 0.0 112.291 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.743 HG11 ' HA ' ' A' ' 81' ' ' ALA . 8.1 t -118.34 169.22 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.592 ' N ' HG12 ' A' ' 77' ' ' VAL . . . -107.77 -153.97 18.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.8 p -48.77 -43.41 37.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.905 0.383 . . . . 0.0 111.127 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.2 m -89.61 89.21 7.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.743 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -89.35 147.52 24.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.083 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 34.1 m -129.59 126.23 38.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.8 mt -120.79 150.11 41.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.489 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 86.2 m-85 -113.23 133.96 54.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.553 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 1.3 t80 -96.6 141.19 30.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.5 tpp85 -133.11 122.25 23.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.4 119.45 11.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 17.8 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.935 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.4 m -76.58 159.85 29.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.875 0.369 . . . . 0.0 110.864 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.5 p -48.39 171.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.8 -165.14 35.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.538 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 m -91.4 -58.47 2.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.89 0.376 . . . . 0.0 110.855 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 m -138.79 177.41 7.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.97 -111.04 0.48 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.4 tpp -68.12 110.58 4.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -125.17 94.91 4.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -114.01 177.84 4.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.549 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.5 m-85 -89.11 137.99 31.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -100.16 109.98 22.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.492 HG22 ' HB3' ' A' ' 81' ' ' ALA . 90.3 t -116.86 114.25 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.421 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 11.3 pt-20 -104.12 100.5 10.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.9 mt -76.33 98.24 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.545 HD23 ' HA ' ' A' ' 23' ' ' LYS . 93.1 mt -98.73 172.12 7.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.411 ' HB3' ' N ' ' A' ' 21' ' ' ARG . 35.1 t70 -90.83 157.56 17.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.27 -11.54 43.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -107.13 -75.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.4 p -82.2 -10.8 59.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.411 ' N ' ' HB3' ' A' ' 17' ' ' ASP . 18.0 mtm-85 46.06 51.44 10.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -102.28 132.73 48.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.545 ' HA ' HD23 ' A' ' 16' ' ' LEU . 1.0 OUTLIER -49.55 107.79 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.1 mt -96.42 -39.84 9.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -158.57 140.81 14.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.421 ' CE2' ' HB3' ' A' ' 14' ' ' GLU . 14.3 t80 -128.13 105.93 8.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.409 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 17.0 mt -99.14 95.18 6.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -91.87 16.26 11.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -133.08 41.0 3.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.499 HG11 HD11 ' A' ' 72' ' ' LEU . 32.6 t -98.95 149.82 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -87.23 151.47 51.36 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.741 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.549 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 52.9 Cg_endo -69.82 -40.07 5.66 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.634 2.222 . . . . 0.0 112.326 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 -73.24 -20.16 60.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.92 126.79 17.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.0 p -87.85 162.64 16.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.739 HG22 ' HE3' ' A' ' 40' ' ' LYS . 42.7 mm -49.24 -43.55 16.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.09 -48.85 33.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -62.82 -47.5 83.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 51.4 mm -45.91 -47.42 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.116 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.739 ' HE3' HG22 ' A' ' 36' ' ' ILE . 36.7 mttt -57.6 -45.5 85.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -55.08 -52.54 62.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.9 mt -45.77 -63.6 0.93 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -45.24 -40.91 7.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 45' ' ' LYS . 4.2 m -62.13 -42.91 99.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 44' ' ' THR . 39.0 mtpt -34.19 -63.99 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.2 m -61.86 -57.36 12.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.194 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 30.7 m-70 -103.92 97.95 12.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.574 0.702 . . . . 0.0 110.872 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.4 Cg_endo -69.81 -43.72 2.46 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.609 2.206 . . . . 0.0 112.328 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -47.1 -34.8 6.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -82.6 94.65 7.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.467 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 1.0 OUTLIER -73.66 160.21 82.68 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.629 0.728 . . . . 0.0 110.948 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -25.03 28.93 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.25 . . . . 0.0 112.328 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.52 -18.67 65.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.09 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.467 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 9.5 ttt180 -100.96 -50.9 3.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -53.56 117.36 3.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.8 t -113.77 119.26 36.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 83' ' ' LEU . 75.6 mt -104.0 138.27 40.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.8 mtt-85 -142.92 135.4 27.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.612 HD21 HD21 ' A' ' 66' ' ' LEU . 5.8 mt -59.11 -20.82 56.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -153.15 153.74 29.96 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.587 0.708 . . . . 0.0 110.841 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.551 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.5 Cg_endo -69.79 -14.66 36.3 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.713 2.275 . . . . 0.0 112.305 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -124.6 32.89 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -113.43 -122.06 3.82 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -147.82 168.57 21.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.756 0.312 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 55.5 p -64.28 141.51 58.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.612 HD21 HD21 ' A' ' 59' ' ' LEU . 7.3 mt -81.57 155.45 25.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 7.0 mptt -115.56 144.83 43.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.14 -43.73 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -44.14 -37.52 3.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.435 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 5.8 m-20 -56.5 150.79 14.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.4 t -139.04 151.54 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.499 HD11 HG11 ' A' ' 30' ' ' VAL . 13.8 mt -62.68 -10.76 13.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -111.4 -18.03 12.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -94.25 -29.39 15.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.847 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -58.95 155.4 32.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.58 0.705 . . . . 0.0 110.915 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 25.02 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.694 2.263 . . . . 0.0 112.327 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.778 HG11 ' HA ' ' A' ' 81' ' ' ALA . 5.1 t -119.52 170.15 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.62 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -107.86 -153.41 17.72 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.522 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.5 p -48.19 -43.82 32.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 111.119 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 62.4 m -92.15 94.28 9.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.778 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -93.08 147.86 22.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 73.8 m -126.55 127.76 45.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 57' ' ' LEU . 33.9 mt -120.91 142.19 49.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.551 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 83.7 m-85 -107.05 134.69 49.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.433 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 2.9 t80 -94.85 140.66 29.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.481 ' O ' ' CD2' ' A' ' 88' ' ' LEU . 11.0 tpp180 -129.95 122.68 29.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -73.58 122.05 21.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.81 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 86' ' ' ARG . 3.7 mm? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -96.46 -48.26 5.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.936 0.398 . . . . 0.0 110.937 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.4 m 53.21 42.28 32.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.65 59.07 0.69 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -48.48 -57.18 6.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.6 p -66.22 -42.88 88.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.897 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.96 -135.51 12.79 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.447 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 mpt? 57.03 36.38 27.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 pttt -69.95 80.83 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -77.45 173.68 11.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.553 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -91.79 144.37 25.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -109.16 109.91 21.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.426 HG22 ' HB3' ' A' ' 81' ' ' ALA . 79.1 t -114.08 104.92 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -92.72 100.13 12.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.6 mt -77.13 98.17 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.123 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.9 mt -100.47 168.93 9.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -88.64 157.96 18.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.9 -10.23 45.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.18 -75.31 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.3 p -79.32 -14.27 59.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.133 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 51.69 50.74 18.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -103.03 144.63 31.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 105.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 mt -94.89 -37.09 11.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.3 t -149.6 139.56 21.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -129.03 106.1 8.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.3 mt -105.3 108.13 19.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -104.69 15.51 27.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -134.1 42.44 2.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.498 HG11 HD11 ' A' ' 72' ' ' LEU . 14.8 t -96.23 154.09 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -90.39 147.55 36.94 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.569 0.7 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.553 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 54.4 Cg_endo -69.77 -27.33 26.57 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.365 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -90.0 2.19 55.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.96 126.08 28.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 82.3 p -87.32 160.27 18.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.574 HG22 ' HE3' ' A' ' 40' ' ' LYS . 27.8 mm -48.98 -38.33 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.02 -45.42 64.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -69.82 -46.83 64.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.508 ' HA ' HD12 ' A' ' 42' ' ' LEU . 37.9 mm -46.6 -40.8 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.574 ' HE3' HG22 ' A' ' 36' ' ' ILE . 27.9 mttt -64.13 -43.42 95.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -57.0 -48.83 77.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 39' ' ' ILE . 19.9 mt -50.73 -55.73 15.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.447 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 5.2 t80 -54.06 -34.07 59.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 50' ' ' TRP . 20.9 m -67.66 -35.9 79.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -40.23 -68.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.4 m -55.58 -51.8 65.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -105.79 92.44 6.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -29.54 23.63 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.76 2.306 . . . . 0.0 112.291 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -63.47 -28.34 69.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.942 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.411 ' O ' HG23 ' A' ' 44' ' ' THR . 17.0 m0 -89.3 111.48 22.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.456 ' HD2' ' HB3' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -88.14 161.67 42.78 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.705 0.764 . . . . 0.0 110.951 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -19.35 36.43 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.718 2.279 . . . . 0.0 112.334 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.456 ' HB3' ' HD2' ' A' ' 51' ' ' TYR . . . -68.12 -2.17 7.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.443 ' HD2' ' CZ ' ' A' ' 51' ' ' TYR . 35.1 mtt180 -119.21 -54.69 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.401 ' OE1' ' CD1' ' A' ' 43' ' ' PHE . 53.4 mt-30 -45.2 109.91 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.0 m -109.04 109.38 20.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.828 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.727 HD13 HD13 ' A' ' 83' ' ' LEU . 97.1 mt -92.21 141.72 28.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.406 ' HG3' ' C ' ' A' ' 57' ' ' LEU . 3.5 mtt-85 -148.47 131.51 16.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.3 mt -54.76 -19.71 6.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -153.35 153.9 29.93 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.641 0.734 . . . . 0.0 110.851 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.482 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.78 -5.94 17.43 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.338 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -129.79 16.43 5.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -96.59 -128.76 5.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -135.44 175.9 9.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.7 p -75.98 129.36 36.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.2 mt -73.73 161.23 30.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -129.78 155.24 46.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -46.42 -42.52 15.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -39.98 -37.82 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.429 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 44.0 m-20 -63.03 156.89 23.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.6 t -141.76 151.86 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.498 HD11 HG11 ' A' ' 30' ' ' VAL . 12.7 mt -66.41 -12.94 59.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -110.68 -16.22 13.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm -97.43 -27.93 14.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.869 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -59.18 154.94 37.86 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.563 0.697 . . . . 0.0 110.931 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 24.75 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.821 HG11 ' HA ' ' A' ' 81' ' ' ALA . 4.6 t -118.63 170.31 8.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.138 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.621 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -112.72 -165.43 16.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 78' ' ' GLY . 19.9 p -34.51 -43.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 111.105 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.9 m -93.81 98.03 10.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.821 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -98.15 146.7 25.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.5 m -128.89 122.03 29.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.727 HD13 HD13 ' A' ' 57' ' ' LEU . 27.4 mt -115.76 145.5 42.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.482 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 82.6 m-85 -109.02 132.47 54.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -95.49 137.5 34.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -124.33 128.42 49.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -60.62 104.73 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.2 tp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -132.63 122.75 25.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.922 0.391 . . . . 0.0 110.827 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.3 m -142.3 155.72 45.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.55 59.58 0.55 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -79.26 90.56 4.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 0.0 110.884 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t -74.93 145.74 42.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.65 -76.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.503 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.417 ' HG2' ' CE1' ' A' ' 10' ' ' HIS . 56.8 tpp -134.22 118.27 17.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -90.08 84.31 6.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.417 ' CE1' ' HG2' ' A' ' 8' ' ' MET . 15.6 m80 -68.7 173.1 5.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.861 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.6 m-85 -87.89 146.33 25.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.953 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.411 ' HG2' ' CG ' ' A' ' 28' ' ' ASP . 24.3 mt-10 -107.1 109.83 21.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.495 HG22 ' HB3' ' A' ' 81' ' ' ALA . 89.0 t -116.76 112.08 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.107 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -102.91 101.37 11.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.4 mt -77.33 99.63 2.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.568 HD23 ' HA ' ' A' ' 23' ' ' LYS . 65.3 mt -99.36 169.62 9.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -86.58 156.51 20.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.24 -0.16 57.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -121.08 -63.88 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.9 p -87.88 -8.71 55.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.5 mtm180 44.31 46.35 7.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -101.77 144.29 30.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.568 ' HA ' HD23 ' A' ' 16' ' ' LEU . 4.8 tppt? -61.7 108.67 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.8 mt -95.49 -38.3 10.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.1 t -155.43 147.3 23.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -132.34 102.32 5.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.8 mt -102.14 95.37 6.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.411 ' CG ' ' HG2' ' A' ' 12' ' ' GLU . 19.9 t0 -92.03 11.24 25.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.48 40.71 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.591 HG11 HD11 ' A' ' 72' ' ' LEU . 27.9 t -95.9 148.92 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -86.68 146.61 41.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.665 0.745 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 54.1 Cg_endo -69.73 -36.52 10.73 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.356 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.5 p80 -75.51 -23.61 56.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.55 133.79 41.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.8 p -89.92 171.83 9.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.635 HG22 ' HE3' ' A' ' 40' ' ' LYS . 37.2 mm -55.71 -44.72 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.8 -47.9 30.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -62.0 -46.15 90.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.587 ' HA ' HD12 ' A' ' 42' ' ' LEU . 31.6 mm -46.02 -47.68 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.635 ' HE3' HG22 ' A' ' 36' ' ' ILE . 0.8 OUTLIER -52.94 -51.37 61.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.843 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -50.91 -55.55 16.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.587 HD12 ' HA ' ' A' ' 39' ' ' ILE . 12.4 mt -41.56 -47.16 3.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.703 ' CD1' ' NE2' ' A' ' 55' ' ' GLN . 4.7 t80 -67.69 -39.79 84.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 m -57.85 -39.33 77.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.167 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -38.05 -62.49 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.7 m -62.69 -58.89 5.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.183 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.425 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 37.2 m80 -101.36 98.84 9.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.59 0.709 . . . . 0.0 110.882 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.6 Cg_endo -69.76 -46.18 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 2.241 . . . . 0.0 112.332 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -46.59 -30.74 2.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 16.7 m0 -85.47 113.22 21.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -91.0 161.55 35.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.729 0.776 . . . . 0.0 110.895 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -9.79 26.98 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.541 ' HB3' ' HD2' ' A' ' 51' ' ' TYR . . . -81.04 -30.57 34.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.109 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.718 ' O ' HD23 ' A' ' 88' ' ' LEU . 8.1 ttt180 -91.21 -49.39 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.703 ' NE2' ' CD1' ' A' ' 43' ' ' PHE . 40.9 mt-30 -52.7 93.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.445 ' HB2' HD21 ' A' ' 88' ' ' LEU . 2.6 t -86.9 134.67 33.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.468 HD13 HD13 ' A' ' 83' ' ' LEU . 83.6 mt -125.31 137.64 54.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.9 mtt180 -146.42 145.22 30.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.561 HD21 HD21 ' A' ' 66' ' ' LEU . 4.3 mt -65.1 -16.74 63.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -156.76 151.33 20.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.565 0.698 . . . . 0.0 110.858 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.487 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 54.6 Cg_endo -69.67 -11.19 30.43 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.704 2.269 . . . . 0.0 112.382 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -125.98 23.85 7.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -102.66 -121.2 4.87 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -141.84 178.63 7.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.767 0.318 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.8 p -78.65 120.67 23.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.561 HD21 HD21 ' A' ' 59' ' ' LEU . 7.0 mt -61.63 159.0 14.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.908 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -125.94 149.07 49.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.48 -44.8 36.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -43.1 -25.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -73.74 144.95 45.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.6 t -129.0 155.64 41.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.591 HD11 HG11 ' A' ' 30' ' ' VAL . 13.4 mt -65.34 -9.12 21.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.943 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -112.62 -24.12 9.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -88.69 -29.65 19.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.849 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -58.15 155.19 26.69 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.617 0.723 . . . . 0.0 110.912 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 25.08 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.82 HG11 ' HA ' ' A' ' 81' ' ' ALA . 4.9 t -120.1 170.37 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.093 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.623 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -110.92 -162.97 18.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.6 p -40.64 -39.24 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.369 . . . . 0.0 111.121 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 37.8 m -95.48 91.92 6.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.82 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -93.57 147.99 22.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.038 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.3 m -129.01 128.2 43.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.468 HD13 HD13 ' A' ' 57' ' ' LEU . 22.8 mt -121.25 137.29 54.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.487 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 81.4 m-85 -100.85 138.95 37.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.57 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 0.7 OUTLIER -95.29 139.86 31.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -131.02 130.55 43.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.17 123.03 27.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 54' ' ' ARG . 4.6 mm? . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 p -38.53 -44.53 0.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 0.0 110.855 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.7 t -108.34 89.63 3.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.63 -119.21 3.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.507 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.7 p -101.44 131.61 47.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.902 0.382 . . . . 0.0 110.824 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -166.15 151.93 8.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.0 90.01 0.1 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.498 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.0 ptt? -116.38 138.58 51.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 110.837 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -118.52 86.21 2.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -119.32 -176.94 3.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -99.74 137.61 37.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -100.62 109.96 22.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.505 HG22 ' HB3' ' A' ' 81' ' ' ALA . 85.2 t -116.91 121.25 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -110.6 99.98 8.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.7 mt -76.89 101.02 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.165 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mt -100.04 170.4 8.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -86.82 156.92 19.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.81 -1.14 57.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.434 ' HE2' ' C ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -117.6 -70.01 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.9 p -87.83 -5.3 58.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 mtt85 42.67 49.55 4.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -100.38 131.22 46.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -51.02 105.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.2 mt -93.48 -35.24 13.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -157.58 144.92 18.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -132.05 105.15 7.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.418 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 27.7 mt -101.58 97.53 7.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -93.91 11.57 29.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -129.17 47.38 2.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.421 HG11 HD11 ' A' ' 72' ' ' LEU . 20.4 t -105.4 145.06 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -83.66 151.03 60.86 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.655 0.74 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.555 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.8 Cg_endo -69.79 -44.82 1.84 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.354 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -70.02 -9.22 54.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.59 129.05 39.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.4 HG22 HG22 ' A' ' 71' ' ' VAL . 69.8 p -92.23 159.7 15.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.541 HG22 ' HE2' ' A' ' 40' ' ' LYS . 42.5 mm -46.18 -41.9 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.14 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.3 -48.91 45.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.054 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -63.0 -52.64 62.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.689 ' HA ' HD12 ' A' ' 42' ' ' LEU . 23.3 mm -38.35 -46.53 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.541 ' HE2' HG22 ' A' ' 36' ' ' ILE . 3.4 mptp? -55.4 -53.54 54.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -47.14 -46.89 23.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 39' ' ' ILE . 15.2 mt -52.4 -64.07 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.96 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.654 ' CD1' ' NE2' ' A' ' 55' ' ' GLN . 4.1 t80 -48.17 -34.94 10.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 m -66.87 -45.56 77.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.106 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -36.95 -63.41 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.87 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.7 m -59.37 -60.53 3.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.154 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -103.29 102.38 28.53 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.62 0.724 . . . . 0.0 110.861 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -44.95 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.714 2.276 . . . . 0.0 112.348 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -48.25 -37.67 16.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 13.8 m0 -78.72 103.53 8.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.477 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.6 OUTLIER -85.38 160.87 53.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.72 0.771 . . . . 0.0 110.913 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -26.26 27.68 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.25 -30.0 71.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.477 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 9.5 ttt85 -92.6 -59.58 2.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.654 ' NE2' ' CD1' ' A' ' 43' ' ' PHE . 31.3 mt-30 -45.17 115.08 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.5 t -110.46 140.36 44.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.502 HD13 HD13 ' A' ' 83' ' ' LEU . 97.3 mt -124.2 138.84 54.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.424 ' HG3' ' C ' ' A' ' 57' ' ' LEU . 8.6 mtt-85 -144.65 137.13 26.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.562 ' CD2' HD11 ' A' ' 66' ' ' LEU . 11.7 mt -59.41 -22.93 62.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -152.03 153.76 31.74 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.627 0.727 . . . . 0.0 110.835 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.572 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.5 Cg_endo -69.82 -13.14 34.12 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.251 . . . . 0.0 112.368 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -126.36 32.73 5.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -114.87 -124.86 3.94 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -137.24 179.97 6.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.2 p -85.1 131.41 34.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.562 HD11 ' CD2' ' A' ' 59' ' ' LEU . 8.2 mt -72.56 162.6 29.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -129.79 160.86 32.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.38 -47.03 37.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -41.35 -37.85 1.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -63.41 143.05 58.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.4 HG22 HG22 ' A' ' 35' ' ' THR . 3.0 t -131.96 156.0 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.421 HD11 HG11 ' A' ' 30' ' ' VAL . 13.3 mt -66.03 -13.97 60.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -110.16 -14.2 14.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -99.06 -28.26 13.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.828 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -59.34 155.55 35.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.548 0.689 . . . . 0.0 110.967 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 25.28 0.17 Allowed 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.701 2.267 . . . . 0.0 112.389 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.777 HG11 ' HA ' ' A' ' 81' ' ' ALA . 6.7 t -120.07 169.55 11.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.591 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -109.86 -164.62 19.65 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.522 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 78' ' ' GLY . 17.7 p -35.87 -46.56 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 111.163 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 60.2 m -90.93 97.87 11.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.777 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -97.94 139.97 32.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.0 m -119.02 125.6 49.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.154 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.502 HD13 HD13 ' A' ' 57' ' ' LEU . 18.5 mt -121.05 134.37 55.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.572 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 93.0 m-85 -98.41 142.31 30.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.625 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 0.1 OUTLIER -99.33 142.38 30.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.476 ' HG3' HD12 ' A' ' 88' ' ' LEU . 15.0 tpt180 -132.41 126.02 32.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.951 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -71.0 121.9 19.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.476 HD12 ' HG3' ' A' ' 86' ' ' ARG . 10.0 mp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 m -89.89 172.57 8.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.894 0.378 . . . . 0.0 110.832 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -130.61 -60.45 0.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.2 -126.75 1.16 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.51 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.2 p -118.87 81.89 1.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.842 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -145.54 113.56 6.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.06 57.16 0.56 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.2 ttt -112.8 113.78 26.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.852 0.358 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -161.72 116.52 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -108.29 -179.77 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.571 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -92.3 142.34 27.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -103.13 109.9 21.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.2 t -117.67 114.92 46.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -106.05 99.62 9.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.4 mt -76.08 98.03 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.612 HD21 ' HD3' ' A' ' 23' ' ' LYS . 80.9 mt -99.43 171.24 8.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -89.64 156.04 18.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.74 -0.79 57.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.1 tptt -120.29 -72.93 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.9 p -80.28 -11.66 59.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 48.46 30.81 2.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -83.41 132.6 34.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.612 ' HD3' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -51.62 118.87 3.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.3 mt -103.32 -40.44 6.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.4 t -158.6 146.75 18.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -130.23 102.93 6.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.1 mt -101.28 99.63 10.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -95.2 8.55 42.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.1 mttt -122.83 37.21 4.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.599 HG11 HD11 ' A' ' 72' ' ' LEU . 16.5 t -91.51 146.37 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.134 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -84.39 146.32 47.28 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.625 0.726 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.571 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.7 Cg_endo -69.82 -31.69 19.77 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.324 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -83.22 -13.26 55.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.02 131.07 49.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.4 p -89.63 160.05 16.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.728 HG22 ' HE2' ' A' ' 40' ' ' LYS . 47.0 mm -48.32 -42.22 11.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.91 -46.57 52.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.53 -46.29 83.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.49 ' HA ' HD12 ' A' ' 42' ' ' LEU . 36.9 mm -43.41 -46.77 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.728 ' HE2' HG22 ' A' ' 36' ' ' ILE . 3.1 mptp? -54.06 -52.53 60.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -48.61 -52.78 21.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 39' ' ' ILE . 19.8 mt -44.57 -57.79 3.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.501 ' CD1' ' NE2' ' A' ' 55' ' ' GLN . 3.2 t80 -55.9 -48.19 76.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 45' ' ' LYS . 3.2 m -49.71 -41.57 43.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.171 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 44' ' ' THR . 38.2 mtmt -36.54 -66.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.4 m -58.11 -56.2 25.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.436 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 61.2 m-70 -106.55 98.68 21.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.569 0.7 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.8 Cg_endo -69.74 -41.79 3.99 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -50.91 -33.42 24.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 15.5 m0 -81.84 95.23 7.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.516 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 1.0 OUTLIER -74.44 160.3 81.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.662 0.744 . . . . 0.0 110.944 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -14.67 36.63 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.705 2.27 . . . . 0.0 112.347 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.94 -20.73 55.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.638 ' O ' HD23 ' A' ' 88' ' ' LEU . 24.4 ttt180 -102.16 -41.05 6.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.501 ' NE2' ' CD1' ' A' ' 43' ' ' PHE . 34.1 mt-30 -66.69 99.81 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.418 ' HB2' HD21 ' A' ' 88' ' ' LEU . 24.8 t -96.7 147.43 23.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.715 HD13 HD13 ' A' ' 83' ' ' LEU . 96.8 mt -127.9 140.4 52.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 -144.95 138.46 26.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.502 HD21 HD21 ' A' ' 66' ' ' LEU . 7.4 mt -60.78 -24.54 65.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -147.77 150.94 37.65 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.614 0.721 . . . . 0.0 110.896 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.541 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.74 -11.45 30.89 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.729 2.286 . . . . 0.0 112.314 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.06 21.43 7.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -106.37 -138.16 8.98 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.503 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.1 mmmt -118.42 178.97 4.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.829 0.347 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.6 p -85.15 139.36 31.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.502 HD21 HD21 ' A' ' 59' ' ' LEU . 5.8 mt -79.6 162.6 25.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -131.22 153.24 49.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -44.78 -46.61 10.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -41.18 -37.56 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.401 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 1.6 m-20 -63.59 145.9 54.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.4 t -131.72 151.97 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.599 HD11 HG11 ' A' ' 30' ' ' VAL . 15.1 mt -61.52 -10.1 7.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.954 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -111.97 -19.62 12.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -91.78 -30.25 16.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.846 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -59.32 155.23 37.5 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.625 0.726 . . . . 0.0 110.928 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 25.07 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.765 HG11 ' HA ' ' A' ' 81' ' ' ALA . 5.7 t -119.82 170.13 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.618 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -112.2 -165.72 17.36 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.509 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 78' ' ' GLY . 71.1 p -34.45 -48.33 0.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.864 0.364 . . . . 0.0 111.135 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.1 m -89.41 95.46 10.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.765 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -98.23 148.2 23.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.6 m -126.15 126.39 44.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.145 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.715 HD13 HD13 ' A' ' 57' ' ' LEU . 28.7 mt -120.68 137.36 54.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.541 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 85.2 m-85 -103.08 140.57 37.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.559 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 1.2 t80 -97.61 145.27 26.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.442 ' N ' ' CD1' ' A' ' 85' ' ' PHE . 8.2 tpp180 -130.17 135.46 48.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -82.81 118.12 23.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.638 HD23 ' O ' ' A' ' 54' ' ' ARG . 3.4 mm? . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.6 p -100.25 156.2 17.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.891 0.377 . . . . 0.0 110.801 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 m -95.79 143.89 26.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 41.99 -122.22 2.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.4 t -104.14 -59.28 1.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 110.856 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -91.38 166.29 12.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.5 -102.19 0.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.444 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.06 103.51 15.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -110.4 89.87 3.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -96.7 -179.67 4.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.828 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.504 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.3 m-85 -92.08 144.41 25.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -103.53 109.96 21.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.531 HG22 ' HB3' ' A' ' 81' ' ' ALA . 98.7 t -119.9 108.25 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.116 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -103.09 101.55 11.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 83.8 mt -73.94 99.43 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.544 HD23 ' HA ' ' A' ' 23' ' ' LYS . 56.4 mt -99.73 169.85 8.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.532 ' OD2' HG22 ' A' ' 20' ' ' THR . 20.5 t0 -85.7 157.45 20.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.68 -5.17 58.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.07 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -115.56 -75.34 0.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.657 HG23 ' H ' ' A' ' 22' ' ' GLU . 9.8 t -82.49 -11.09 58.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.438 ' O ' HD22 ' A' ' 16' ' ' LEU . 2.1 mtm105 55.06 26.19 7.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.657 ' H ' HG23 ' A' ' 20' ' ' THR . 18.8 mt-10 -68.77 131.63 45.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.544 ' HA ' HD23 ' A' ' 16' ' ' LEU . 3.4 tppp? -55.61 109.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.0 mt -92.69 -48.21 6.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.84 154.15 39.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.924 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -134.93 102.78 5.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.6 mt -103.56 102.09 11.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -99.53 2.41 44.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -116.99 38.57 3.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.762 HG11 HD11 ' A' ' 72' ' ' LEU . 21.0 t -90.9 154.0 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -94.6 144.77 28.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.639 0.733 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.504 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 54.0 Cg_endo -69.84 -30.99 21.03 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.325 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -83.0 -16.44 47.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.27 131.07 49.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.0 p -86.42 164.93 16.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.629 HG22 ' HE2' ' A' ' 40' ' ' LYS . 43.2 mm -52.62 -38.16 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.48 -46.22 73.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.108 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.43 -41.94 98.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.701 ' HA ' HD12 ' A' ' 42' ' ' LEU . 49.0 mm -48.36 -47.52 14.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.629 ' HE2' HG22 ' A' ' 36' ' ' ILE . 2.2 mptp? -53.52 -52.91 58.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -49.62 -48.0 49.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.701 HD12 ' HA ' ' A' ' 39' ' ' ILE . 20.6 mt -49.71 -52.58 30.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.652 ' CE1' ' NE2' ' A' ' 55' ' ' GLN . 3.9 t80 -60.0 -38.08 81.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 45' ' ' LYS . 2.3 m -62.4 -44.71 95.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 44' ' ' THR . 58.7 mttp -36.48 -67.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.509 HG22 ' CD2' ' A' ' 47' ' ' HIS . 32.9 m -58.84 -54.22 49.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.509 ' CD2' HG22 ' A' ' 46' ' ' THR . 16.4 m170 -108.86 96.75 21.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.598 0.713 . . . . 0.0 110.859 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 54.0 Cg_endo -69.77 -39.31 6.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.695 2.264 . . . . 0.0 112.352 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -52.9 -39.79 63.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -78.38 98.12 5.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -78.41 160.23 73.19 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.664 0.745 . . . . 0.0 110.895 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -28.64 24.88 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.332 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.65 -19.28 62.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.084 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.445 ' O ' HD12 ' A' ' 88' ' ' LEU . 18.9 ttt-85 -104.39 -45.93 4.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.652 ' NE2' ' CE1' ' A' ' 43' ' ' PHE . 38.1 mt-30 -62.97 109.77 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.3 t -99.39 145.97 26.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.8 mt -133.0 134.38 44.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -147.09 146.83 30.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.6 mt -65.23 -25.91 67.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -145.36 152.03 49.03 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.617 0.722 . . . . 0.0 110.838 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.571 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.73 -13.25 34.47 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.318 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -125.67 27.24 6.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -103.51 -122.86 5.17 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.485 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -137.52 -176.15 4.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.33 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.1 p -86.25 121.63 29.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.0 mt -64.58 161.22 17.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -133.14 149.9 52.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 69' ' ' GLU . 3.9 p30 -42.69 -49.32 5.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 68' ' ' ASP . 10.1 pt-20 -35.9 -39.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.426 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 1.2 m-20 -61.81 149.84 38.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.2 t -133.11 153.34 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.762 HD11 HG11 ' A' ' 30' ' ' VAL . 13.1 mt -65.32 -11.77 45.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -111.53 -19.01 12.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.7 mmtt -94.05 -28.64 15.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.851 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -58.66 155.06 32.0 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.642 0.734 . . . . 0.0 110.877 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 25.11 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.809 HG11 ' HA ' ' A' ' 81' ' ' ALA . 5.7 t -119.46 169.73 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.599 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -110.06 -164.5 19.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.462 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 36.1 p -40.77 -38.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 111.132 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 28.0 m -94.7 89.17 5.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.809 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -90.45 143.86 26.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.1 m -124.48 121.91 36.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 36.7 mt -114.98 132.25 56.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.571 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 72.0 m-85 -96.23 143.67 27.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.618 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 0.1 OUTLIER -105.82 142.09 36.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.844 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -133.02 119.26 19.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.0 112.66 3.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 54' ' ' ARG . 87.2 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 p -105.45 -55.68 2.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.89 0.376 . . . . 0.0 110.885 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.8 p -117.31 105.06 11.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.82 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.07 -114.12 3.85 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 m 46.0 41.57 8.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.909 0.385 . . . . 0.0 110.87 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.6 m -83.3 157.95 22.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.34 -163.45 54.62 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.447 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -38.63 129.16 1.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -115.27 96.21 5.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -55.53 177.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.508 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -92.31 139.21 30.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -102.31 110.02 21.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.522 HG22 ' HB3' ' A' ' 81' ' ' ALA . 86.1 t -117.82 120.89 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -108.85 99.7 9.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.4 mt -74.99 104.0 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' A' ' 23' ' ' LYS . 21.0 mt -103.3 171.99 7.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -89.62 155.27 19.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.814 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.05 3.12 54.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -125.03 -64.92 1.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 64.9 p -88.06 -9.21 54.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.106 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 45.69 46.32 11.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -101.19 135.79 42.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.497 ' HA ' HD23 ' A' ' 16' ' ' LEU . 5.0 tppt? -53.65 108.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.9 mt -93.2 -39.11 11.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t -160.1 141.47 12.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -123.81 106.2 10.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.0 mt -102.43 98.77 8.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -93.14 8.85 38.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -127.37 46.91 2.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.682 HG11 HD11 ' A' ' 72' ' ' LEU . 29.3 t -100.85 143.21 14.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -81.63 145.53 54.79 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.632 0.73 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.508 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.81 -32.7 17.85 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.634 2.223 . . . . 0.0 112.333 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -82.94 -7.72 59.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.37 128.68 36.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 77.5 p -85.35 155.96 21.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.443 ' CG1' ' HB2' ' A' ' 70' ' ' ASP . 48.9 mm -43.51 -40.61 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.06 -50.07 62.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -59.21 -39.14 81.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.492 ' HA ' HD12 ' A' ' 42' ' ' LEU . 46.3 mm -54.5 -49.62 64.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -54.85 -43.66 73.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -57.81 -55.02 40.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 39' ' ' ILE . 24.2 mt -44.49 -59.52 2.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.622 ' CD1' ' NE2' ' A' ' 55' ' ' GLN . 4.4 t80 -50.7 -35.06 29.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 45' ' ' LYS . 16.7 m -63.34 -40.85 98.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 44' ' ' THR . 29.6 mtmt -34.4 -69.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.549 ' CG2' ' N ' ' A' ' 47' ' ' HIS . 1.1 t -56.02 -47.2 78.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.549 ' N ' ' CG2' ' A' ' 46' ' ' THR . 7.4 m-70 -113.0 95.86 36.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.591 0.71 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.8 Cg_endo -69.75 -37.13 9.61 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -56.7 -33.19 66.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.401 ' CD1' ' N ' ' A' ' 50' ' ' TRP . 12.8 m0 -81.2 88.65 6.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -69.45 160.33 79.74 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.712 0.768 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -37.93 8.39 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.66 -23.84 1.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -102.43 -56.69 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.622 ' NE2' ' CD1' ' A' ' 43' ' ' PHE . 22.3 mt-30 -44.89 105.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 t -98.87 148.98 23.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.8 mt -131.71 143.11 50.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -152.23 141.45 21.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.432 HD21 HD21 ' A' ' 66' ' ' LEU . 4.5 mt -65.26 -15.91 63.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -158.06 153.33 21.89 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.607 0.718 . . . . 0.0 110.851 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.546 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 54.0 Cg_endo -69.73 -10.36 28.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.657 2.238 . . . . 0.0 112.386 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -126.23 19.41 7.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -97.96 -137.95 9.94 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.438 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.423 ' HD3' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -118.56 179.25 4.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.762 0.315 . . . . 0.0 110.887 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.5 p -85.69 103.44 14.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.809 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.432 HD21 HD21 ' A' ' 59' ' ' LEU . 9.3 mt -46.11 157.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -133.04 150.04 52.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 69' ' ' GLU . 2.0 p30 -40.16 -52.01 2.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.461 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 9.5 pt-20 -34.93 -39.62 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.443 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 0.9 OUTLIER -59.63 148.24 34.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -134.34 152.48 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.183 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.682 HD11 HG11 ' A' ' 30' ' ' VAL . 14.0 mt -65.02 -12.37 49.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -111.01 -16.59 13.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt -96.52 -28.37 14.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.849 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -59.22 155.17 36.81 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.66 0.743 . . . . 0.0 110.874 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 24.97 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.669 2.246 . . . . 0.0 112.332 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.776 HG11 ' HA ' ' A' ' 81' ' ' ALA . 3.8 t -119.73 170.95 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.644 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -112.28 -162.75 16.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.5 p -39.4 -36.52 0.37 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.848 0.356 . . . . 0.0 111.144 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.0 m -98.28 94.79 6.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.162 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.776 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -97.75 143.09 28.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.3 m -121.71 122.03 38.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 50.6 mt -117.0 137.2 52.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.546 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 83.5 m-85 -103.47 136.33 43.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.54 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -95.96 141.41 29.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.479 ' O ' ' CD1' ' A' ' 88' ' ' LEU . 4.4 tpm_? -133.4 119.51 19.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.76 124.13 23.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.479 ' CD1' ' O ' ' A' ' 86' ' ' ARG . 10.8 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -139.77 120.46 14.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.933 0.396 . . . . 0.0 110.848 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 m -93.1 85.75 5.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.34 135.55 15.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.474 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 m -95.21 135.46 36.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.387 . . . . 0.0 110.838 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -42.29 -45.06 4.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.5 -85.57 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.519 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.1 mpp? -102.65 148.48 25.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -98.98 88.63 4.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -86.53 173.35 9.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.508 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -90.33 138.32 31.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -100.01 110.12 22.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.711 HG22 ' HB3' ' A' ' 81' ' ' ALA . 79.8 t -118.75 116.88 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.084 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -110.0 100.03 9.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.417 HD12 ' HD2' ' A' ' 43' ' ' PHE . 68.1 mt -73.36 99.83 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 23' ' ' LYS . 30.9 mt -98.7 170.68 8.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -88.82 155.4 19.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.1 -1.44 57.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -118.47 -67.15 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.9 p -88.15 -10.09 51.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.0 mtm-85 47.49 47.29 17.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -99.49 137.25 38.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.446 ' HA ' HD23 ' A' ' 16' ' ' LEU . 2.9 tppp? -57.24 107.79 0.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.5 mt -93.12 -37.66 12.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -158.56 140.52 13.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -124.06 109.98 14.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.1 mt -109.63 101.17 10.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -97.43 9.75 41.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.797 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -124.96 40.7 3.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.438 HG11 HD11 ' A' ' 72' ' ' LEU . 20.8 t -96.5 145.69 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -84.96 149.18 52.69 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.662 0.744 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.508 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.8 Cg_endo -69.76 -37.67 8.84 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -77.3 -5.89 51.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.819 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.88 129.01 38.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.472 HG22 HG22 ' A' ' 71' ' ' VAL . 73.2 p -92.05 156.01 17.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.117 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.501 HG22 ' HE2' ' A' ' 40' ' ' LYS . 49.4 mm -41.36 -44.42 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.88 -52.05 15.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -61.31 -45.06 96.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.603 ' HA ' HD12 ' A' ' 42' ' ' LEU . 48.2 mm -47.1 -48.93 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.501 ' HE2' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -54.15 -48.51 70.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -51.84 -53.55 39.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 39' ' ' ILE . 10.6 mt -45.65 -61.33 1.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.417 ' HD2' HD12 ' A' ' 15' ' ' ILE . 4.4 t80 -50.16 -37.02 32.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 45' ' ' LYS . 1.9 m -58.82 -43.68 90.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.154 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 44' ' ' THR . 26.9 mttm -36.6 -67.8 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.6 m -59.17 -59.01 6.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.145 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 31.2 m-70 -102.51 96.66 7.66 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.617 0.722 . . . . 0.0 110.856 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.8 Cg_endo -69.71 -39.7 6.28 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -50.95 -28.04 8.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.404 ' O ' HG23 ' A' ' 44' ' ' THR . 18.6 m0 -87.67 116.24 25.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.477 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -98.45 160.77 27.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.678 0.751 . . . . 0.0 110.924 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -28.21 25.84 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.382 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.1 -34.59 78.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.477 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 9.2 ttm180 -90.42 -53.02 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -50.02 114.33 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 t -107.5 139.1 42.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.426 HD12 HG23 ' A' ' 36' ' ' ILE . 68.9 mt -122.78 142.65 50.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -149.55 138.19 20.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.4 mt -62.49 -25.4 67.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.87 150.29 49.24 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.614 0.721 . . . . 0.0 110.843 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.569 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.9 Cg_endo -69.77 -11.62 31.2 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 pttm -125.85 23.0 7.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -100.22 -119.78 4.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -142.48 -179.19 6.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.782 0.325 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.9 p -78.96 129.66 34.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.8 mt -74.05 160.62 31.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -131.93 151.53 51.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 70' ' ' ASP . 2.0 m-20 -46.28 -48.05 18.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -38.96 -27.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 68' ' ' ASP . 1.8 m-20 -72.85 145.01 47.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.472 HG22 HG22 ' A' ' 35' ' ' THR . 3.0 t -129.48 152.23 36.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.438 HD11 HG11 ' A' ' 30' ' ' VAL . 12.4 mt -64.34 -11.47 32.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -111.47 -17.36 13.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -95.19 -29.45 14.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.816 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -58.82 155.43 31.28 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.649 0.738 . . . . 0.0 110.907 179.886 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 25.76 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.244 . . . . 0.0 112.395 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.678 HG11 ' HA ' ' A' ' 81' ' ' ALA . 21.3 t -121.14 167.61 14.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.6 ' N ' HG12 ' A' ' 77' ' ' VAL . . . -107.54 -161.68 21.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 47.3 p -40.12 -45.36 1.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.361 . . . . 0.0 111.142 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 35.2 m -86.48 92.74 8.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.711 ' HB3' HG22 ' A' ' 13' ' ' VAL . . . -91.85 139.55 30.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.07 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.3 m -123.92 117.93 25.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.181 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.411 HD13 HD13 ' A' ' 57' ' ' LEU . 23.1 mt -114.1 140.66 48.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.569 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 75.0 m-85 -105.58 138.56 41.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.585 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -100.17 138.48 37.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.64 ' HG3' HD12 ' A' ' 88' ' ' LEU . 13.5 tpt180 -133.05 134.8 44.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.15 120.36 23.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.64 HD12 ' HG3' ' A' ' 86' ' ' ARG . 7.8 mp . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -149.33 177.0 10.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.903 0.382 . . . . 0.0 110.883 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.8 m -113.5 -52.91 2.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.17 169.25 43.25 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.502 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 m -82.58 136.82 34.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.373 . . . . 0.0 110.905 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 m -89.59 -49.38 6.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.53 -125.37 5.29 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.41 148.0 49.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.884 0.373 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -115.58 45.03 1.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.7 m80 -55.2 -175.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.8 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.561 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 2.9 m-85 -101.41 142.94 32.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -102.78 109.95 21.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.517 HG22 ' HB3' ' A' ' 81' ' ' ALA . 98.5 t -119.12 124.56 73.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.123 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -113.82 100.28 8.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.0 mt -74.78 99.23 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 23' ' ' LYS . 12.0 mt -97.97 169.88 9.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.938 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -88.13 157.32 18.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.0 -4.76 58.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -114.29 -74.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.0 p -79.92 -12.07 59.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.5 mtm105 47.99 52.35 13.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -105.89 137.99 42.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.451 ' HA ' HD23 ' A' ' 16' ' ' LEU . 5.9 tppt? -55.72 104.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.7 mt -92.24 -29.77 16.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.931 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -163.69 143.27 8.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -129.71 102.98 6.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.447 HD13 HD13 ' A' ' 42' ' ' LEU . 15.1 mt -99.93 103.31 14.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -98.48 6.67 47.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -121.25 39.87 3.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.703 HG11 HD11 ' A' ' 72' ' ' LEU . 14.2 t -96.61 143.3 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.112 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -83.08 148.31 56.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.561 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.7 Cg_endo -69.77 -29.68 23.45 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.718 2.279 . . . . 0.0 112.377 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -86.18 -9.4 56.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.31 135.73 57.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.5 p -93.23 159.36 15.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.67 HG22 ' HE3' ' A' ' 40' ' ' LYS . 45.4 mm -46.34 -42.9 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.426 ' HB2' ' HB3' ' A' ' 68' ' ' ASP . . . -48.23 -53.57 16.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -58.29 -40.9 83.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.659 ' HA ' HD12 ' A' ' 42' ' ' LEU . 35.8 mm -52.87 -55.49 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.67 ' HE3' HG22 ' A' ' 36' ' ' ILE . 41.3 mttt -49.43 -47.1 48.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -52.12 -51.82 55.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' A' ' 39' ' ' ILE . 15.4 mt -46.68 -62.55 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.445 ' CE1' ' NE2' ' A' ' 55' ' ' GLN . 5.6 t80 -48.15 -30.53 4.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.4 m -69.79 -40.65 75.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -38.66 -61.02 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.1 m -61.31 -60.14 4.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.189 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 41.8 m-70 -100.8 99.06 9.38 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.61 0.719 . . . . 0.0 110.867 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 54.1 Cg_endo -69.68 -42.0 3.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.758 2.305 . . . . 0.0 112.349 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -50.46 -33.94 22.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.405 ' CE3' ' CE1' ' A' ' 43' ' ' PHE . 18.1 m0 -81.96 115.56 21.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.494 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -97.44 159.6 30.77 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.672 0.748 . . . . 0.0 110.909 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -28.78 24.46 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.63 2.22 . . . . 0.0 112.35 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.42 -30.84 71.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.089 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.865 ' O ' HD23 ' A' ' 88' ' ' LEU . 7.2 ttm180 -90.6 -42.83 10.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.445 ' NE2' ' CE1' ' A' ' 43' ' ' PHE . 62.0 mt-30 -64.54 139.64 58.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.9 t -130.73 126.64 36.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.4 mt -105.6 138.13 42.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.951 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -146.02 136.67 24.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.7 mt -62.46 -22.2 66.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -147.62 150.74 37.58 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.572 0.701 . . . . 0.0 110.895 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.561 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.8 Cg_endo -69.74 -11.48 30.95 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.01 18.86 8.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -97.99 -125.89 5.33 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -137.29 -176.87 4.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.808 0.337 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.4 p -80.11 137.25 36.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.0 mt -80.95 161.46 24.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -133.4 150.52 51.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 70' ' ' ASP . 0.9 OUTLIER -44.08 -50.26 8.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' ASP . 8.4 pt-20 -34.88 -34.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' ASP . 42.9 m-20 -67.8 143.95 55.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.2 t -129.93 153.22 38.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.703 HD11 HG11 ' A' ' 30' ' ' VAL . 17.6 mt -63.89 -12.2 34.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -111.02 -15.4 13.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -97.2 -29.04 13.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.832 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -59.67 155.48 39.68 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.619 0.723 . . . . 0.0 110.917 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 25.34 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.342 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.721 HG11 ' HA ' ' A' ' 81' ' ' ALA . 3.7 t -120.67 170.81 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.641 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -110.51 -165.43 19.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 78' ' ' GLY . 36.3 p -34.77 -51.36 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 111.138 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.2 m -88.14 98.77 11.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.721 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -98.93 151.51 20.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.093 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.4 m -127.53 129.34 47.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.158 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 32.2 mt -122.25 141.96 50.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.561 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 73.7 m-85 -107.07 134.97 49.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.509 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -97.75 145.34 26.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.474 ' O ' ' CD2' ' A' ' 88' ' ' LEU . 8.2 tpt180 -137.23 123.53 20.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.499 ' C ' HD22 ' A' ' 88' ' ' LEU . 1.2 t70 -73.56 134.88 43.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.865 HD23 ' O ' ' A' ' 54' ' ' ARG . 2.5 mm? . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -150.8 123.37 8.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 110.837 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -56.05 -49.09 74.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.65 163.38 37.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.451 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.0 p 45.09 42.71 6.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.881 0.372 . . . . 0.0 110.873 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.6 p -168.72 137.45 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.04 136.49 3.31 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.6 tpt -108.54 151.59 25.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.794 0.331 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -91.68 79.55 5.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.439 ' CG ' ' HA ' ' A' ' 29' ' ' LYS . 12.3 m80 -133.72 179.52 6.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.54 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.5 m-85 -97.91 144.23 27.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -103.42 109.86 21.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.5 HG22 ' HB3' ' A' ' 81' ' ' ALA . 99.5 t -119.46 116.52 51.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -109.72 101.5 10.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.5 mt -74.92 98.49 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.536 HD23 ' HA ' ' A' ' 23' ' ' LYS . 51.8 mt -97.77 167.59 10.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -85.74 157.53 20.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.29 -2.24 57.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.9 ttmt -119.42 -66.16 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.9 p -87.82 -3.94 58.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 mtm-85 42.33 33.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -84.2 139.83 32.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.536 ' HA ' HD23 ' A' ' 16' ' ' LEU . 3.0 tppp? -60.59 109.55 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.0 mt -91.68 -44.08 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.8 t -153.75 153.97 33.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -135.37 107.14 7.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.3 mt -107.69 106.02 16.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -100.44 2.3 42.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.439 ' HA ' ' CG ' ' A' ' 10' ' ' HIS . 1.7 mppt? -118.48 40.87 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.5 HG11 HD11 ' A' ' 72' ' ' LEU . 24.2 t -95.66 147.07 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -85.54 147.35 46.43 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.668 0.747 . . . . 0.0 110.842 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.54 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.8 -30.76 21.59 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.734 2.289 . . . . 0.0 112.315 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -83.12 -8.41 59.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.42 127.27 30.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.5 p -89.09 153.39 21.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.437 HG22 ' HE3' ' A' ' 40' ' ' LYS . 45.7 mm -42.9 -38.27 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.456 ' HB2' ' HB3' ' A' ' 68' ' ' ASP . . . -54.48 -44.79 72.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.11 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -69.4 -41.85 75.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.429 ' HA ' HD12 ' A' ' 42' ' ' LEU . 45.0 mm -50.24 -43.22 21.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.548 ' CE ' HD12 ' A' ' 57' ' ' LEU . 2.1 mptm? -57.59 -46.37 84.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -53.87 -54.94 31.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 39' ' ' ILE . 18.4 mt -43.13 -49.22 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.651 ' CD1' ' NE2' ' A' ' 55' ' ' GLN . 5.4 t80 -63.31 -40.89 98.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.4 m -62.83 -37.26 86.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.206 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -39.05 -65.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.4 m -61.01 -56.44 21.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.433 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 10.2 m170 -103.06 95.84 7.18 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.572 0.701 . . . . 0.0 110.832 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 54.2 Cg_endo -69.76 -38.35 7.91 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.642 2.228 . . . . 0.0 112.368 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -56.93 -32.08 65.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 17.9 m0 -83.93 93.0 7.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -73.64 159.78 83.71 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.674 0.75 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -39.67 6.11 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.285 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -45.95 -23.45 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.622 ' O ' HD23 ' A' ' 88' ' ' LEU . 7.8 ttt85 -103.27 -37.46 7.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.651 ' NE2' ' CD1' ' A' ' 43' ' ' PHE . 29.8 mt-30 -64.56 79.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.729 ' OG ' HD21 ' A' ' 88' ' ' LEU . 2.5 m -81.1 117.48 21.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.622 HD13 HD13 ' A' ' 83' ' ' LEU . 52.1 mt -102.2 144.65 30.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -149.94 140.27 22.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.521 HD21 HD21 ' A' ' 66' ' ' LEU . 6.7 mt -59.23 -10.69 3.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.499 ' HA ' ' CD2' ' A' ' 84' ' ' TYR . 8.1 m-20 -169.26 151.25 4.54 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.576 0.703 . . . . 0.0 110.901 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.589 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.4 Cg_endo -69.75 -4.35 13.84 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.327 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -127.96 24.49 6.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -114.81 -136.94 6.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.446 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.64 154.75 37.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.3 p -63.72 119.49 10.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.521 HD21 HD21 ' A' ' 59' ' ' LEU . 7.6 mt -59.16 159.91 6.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -129.2 157.78 40.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.456 ' HB3' ' HB2' ' A' ' 37' ' ' ALA . 1.4 p-10 -48.6 -48.22 39.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -40.0 -36.48 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -63.53 148.57 48.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.7 t -133.85 152.02 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.5 HD11 HG11 ' A' ' 30' ' ' VAL . 12.5 mt -63.74 -9.3 13.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -112.44 -22.94 10.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -89.82 -29.39 18.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.868 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -59.13 154.86 37.72 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.611 0.719 . . . . 0.0 110.896 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 24.8 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.723 2.282 . . . . 0.0 112.321 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.798 HG11 ' HA ' ' A' ' 81' ' ' ALA . 5.8 t -118.65 169.87 8.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.603 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -109.01 -166.65 20.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 78' ' ' GLY . 20.3 p -36.32 -42.8 0.34 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.864 0.364 . . . . 0.0 111.155 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 63.5 m -94.2 98.14 10.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.798 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -97.95 152.36 19.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.0 m -130.98 126.4 35.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.622 HD13 HD13 ' A' ' 57' ' ' LEU . 46.9 mt -115.01 150.24 36.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.589 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 65.8 m-85 -117.26 133.24 56.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.521 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 2.4 t80 -94.42 131.1 40.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -124.64 128.37 48.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.76 128.17 35.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.729 HD21 ' OG ' ' A' ' 56' ' ' SER . 4.4 mm? . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 t -82.36 -59.21 2.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.909 0.385 . . . . 0.0 110.844 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 p -81.09 120.44 24.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.31 -151.5 9.37 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.0 m -118.1 159.72 22.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.898 0.38 . . . . 0.0 110.844 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -84.48 152.11 24.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.06 125.99 0.87 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -128.39 132.83 48.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.3 pttt -100.09 42.17 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.483 ' CG ' ' HA ' ' A' ' 29' ' ' LYS . 12.3 m80 -132.52 179.32 6.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.536 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 4.5 m-85 -97.83 136.56 37.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -100.03 109.93 22.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.506 HG22 ' HB3' ' A' ' 81' ' ' ALA . 95.5 t -116.14 116.17 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -102.49 95.99 6.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.2 mt -75.17 98.57 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.127 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.8 mt -97.95 168.76 10.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -83.77 157.19 22.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 85' ' ' PHE . . . -89.49 -1.12 57.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.3 tptp -122.54 -63.51 1.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.3 p -87.3 -7.1 58.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.9 mtt85 42.24 51.18 4.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -106.25 142.29 36.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.85 101.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.5 mt -89.14 -35.27 16.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.8 t -156.24 141.58 17.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -128.49 100.71 5.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.403 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 17.2 mt -99.95 100.36 11.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -97.24 13.48 29.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.483 ' HA ' ' CG ' ' A' ' 10' ' ' HIS . 3.1 mppt? -130.44 38.78 3.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.474 HG11 HD11 ' A' ' 72' ' ' LEU . 45.7 t -93.64 150.33 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -88.34 147.96 41.34 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.665 0.745 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.536 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.7 -34.8 14.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.718 2.279 . . . . 0.0 112.341 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -79.05 -6.84 57.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.08 132.28 48.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.463 HG22 HG22 ' A' ' 71' ' ' VAL . 73.9 p -93.47 151.52 19.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.161 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.423 HG22 ' HE2' ' A' ' 40' ' ' LYS . 44.3 mm -38.99 -37.7 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.102 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.4 -46.76 76.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -62.87 -45.48 92.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.5 mm -47.48 -47.54 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.423 ' HE2' HG22 ' A' ' 36' ' ' ILE . 26.6 mttm -58.01 -44.44 87.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -53.89 -51.34 64.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.87 HD23 ' CE ' ' A' ' 45' ' ' LYS . 10.2 mt -51.07 -55.11 19.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.949 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.601 ' CE1' ' OE1' ' A' ' 55' ' ' GLN . 8.3 t80 -51.27 -29.03 13.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.93 -43.28 45.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.172 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.87 ' CE ' HD23 ' A' ' 42' ' ' LEU . 20.6 mtmm -38.01 -53.98 1.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.6 m -70.8 -54.24 12.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -105.51 95.95 11.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.631 0.729 . . . . 0.0 110.865 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -33.24 16.99 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.686 2.257 . . . . 0.0 112.324 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -61.77 -31.28 71.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 14.5 m0 -85.78 113.41 21.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.5 OUTLIER -91.27 160.58 36.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.681 0.753 . . . . 0.0 110.928 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -28.38 25.17 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.08 -26.06 67.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.599 ' O ' HD23 ' A' ' 88' ' ' LEU . 26.0 ttt180 -91.24 -54.36 3.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.601 ' OE1' ' CE1' ' A' ' 43' ' ' PHE . 36.4 mt-30 -59.54 116.88 4.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 t -115.19 108.95 17.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.496 HD13 HD13 ' A' ' 83' ' ' LEU . 22.6 mt -86.75 142.39 28.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -150.62 138.76 20.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.446 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 8.5 mt -57.53 -11.99 2.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.446 ' CG ' ' O ' ' A' ' 59' ' ' LEU . 9.7 m-20 -166.78 149.59 6.05 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.584 0.707 . . . . 0.0 110.876 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.58 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.75 -3.94 13.01 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.8 pttt -126.76 26.52 6.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -116.24 -125.73 3.83 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.546 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -141.08 154.57 46.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.802 0.335 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 84.2 p -58.13 129.87 43.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.407 HD11 ' CD2' ' A' ' 59' ' ' LEU . 7.4 mt -70.52 159.2 34.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -120.46 150.1 41.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 69' ' ' GLU . 5.3 p-10 -42.3 -50.18 5.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.846 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 68' ' ' ASP . 23.8 pt-20 -35.33 -41.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -62.21 146.13 51.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.463 HG22 HG22 ' A' ' 35' ' ' THR . 9.8 t -132.48 154.86 40.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.474 HD11 HG11 ' A' ' 30' ' ' VAL . 15.2 mt -66.69 -6.75 16.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -113.6 -20.02 11.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -97.28 -26.46 14.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.842 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -58.67 155.24 31.06 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.583 0.706 . . . . 0.0 110.923 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 25.35 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.643 2.229 . . . . 0.0 112.295 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.801 HG11 ' HA ' ' A' ' 81' ' ' ALA . 5.3 t -120.22 170.21 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.613 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -109.35 -163.9 20.03 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.2 p -38.35 -42.14 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.359 . . . . 0.0 111.128 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.1 m -95.04 98.96 11.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.801 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -97.79 151.07 20.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 65.4 m -129.24 130.02 45.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.496 HD13 HD13 ' A' ' 57' ' ' LEU . 21.4 mt -121.48 147.66 45.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.58 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 72.2 m-85 -115.14 131.4 56.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.615 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 0.1 OUTLIER -95.15 152.48 18.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.883 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.472 ' N ' ' CD1' ' A' ' 85' ' ' PHE . 8.0 tpt180 -135.67 134.01 38.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -82.11 116.08 21.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.601 ' N ' HD22 ' A' ' 88' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.7 p -104.5 168.28 9.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.896 0.379 . . . . 0.0 110.838 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 t -82.34 167.59 18.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.19 161.59 34.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.525 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -112.94 82.04 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.835 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.4 p -71.49 119.84 16.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.7 -117.01 0.4 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.3 mmt -65.11 124.57 22.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.871 0.367 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -114.76 93.3 4.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -133.53 176.86 8.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 4.0 m-85 -87.56 137.63 32.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -99.58 110.34 22.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.458 HG22 ' HB3' ' A' ' 81' ' ' ALA . 97.3 t -120.0 116.31 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.095 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.7 pm0 -107.61 102.59 11.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.5 mt -76.22 105.81 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.557 HD23 ' HA ' ' A' ' 23' ' ' LYS . 55.3 mt -107.15 174.4 5.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.431 ' OD2' HG22 ' A' ' 20' ' ' THR . 25.2 t0 -90.81 157.54 17.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.44 0.37 56.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -120.01 -69.12 0.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.665 HG23 ' HG2' ' A' ' 22' ' ' GLU . 5.1 t -90.03 -2.81 58.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.138 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.8 mtt85 44.06 25.71 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.665 ' HG2' HG23 ' A' ' 20' ' ' THR . 13.0 pt-20 -71.0 131.41 43.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.557 ' HA ' HD23 ' A' ' 16' ' ' LEU . 2.7 tppt? -53.34 115.67 2.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.0 mt -99.39 -46.33 5.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.0 t -153.31 150.92 29.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -132.54 108.03 8.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.7 mt -108.27 100.89 10.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.4 p30 -98.26 15.2 25.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -130.38 42.22 3.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.46 HG11 HD11 ' A' ' 72' ' ' LEU . 21.8 t -97.96 150.02 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -88.4 148.57 42.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.595 0.712 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.551 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.7 Cg_endo -69.78 -39.78 6.08 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.339 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -75.44 -6.63 51.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.75 132.09 48.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.0 p -93.57 157.63 16.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.422 ' CG2' ' HE3' ' A' ' 40' ' ' LYS . 27.6 mm -44.57 -41.17 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.1 -47.72 61.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.6 -50.48 69.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.681 ' HA ' HD12 ' A' ' 42' ' ' LEU . 47.4 mm -42.49 -49.05 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.422 ' HE3' ' CG2' ' A' ' 36' ' ' ILE . 1.9 mptm? -53.28 -45.41 68.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -57.79 -53.11 61.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' A' ' 39' ' ' ILE . 17.2 mt -44.83 -48.82 11.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.532 ' CE1' ' NE2' ' A' ' 55' ' ' GLN . 4.3 t80 -62.09 -42.58 99.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 45' ' ' LYS . 3.3 m -56.84 -41.87 78.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 44' ' ' THR . 30.8 mtpt -34.9 -66.3 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 40.8 m -62.97 -52.19 63.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.419 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 30.0 m-70 -108.03 93.66 11.35 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.538 0.685 . . . . 0.0 110.836 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 54.0 Cg_endo -69.78 -41.45 4.24 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.718 2.279 . . . . 0.0 112.34 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -49.35 -33.12 12.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 15.2 m0 -84.83 99.06 10.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -77.99 160.38 73.95 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.65 0.738 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -30.33 22.49 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.269 . . . . 0.0 112.348 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.36 -24.21 59.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -100.56 -58.27 1.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.532 ' NE2' ' CE1' ' A' ' 43' ' ' PHE . 40.5 mt-30 -46.04 106.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 t -103.16 137.92 40.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.418 ' C ' ' HG3' ' A' ' 58' ' ' ARG . 82.3 mt -120.54 144.28 48.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.418 ' HG3' ' C ' ' A' ' 57' ' ' LEU . 5.4 mtt-85 -144.91 138.66 27.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.506 ' HG ' HD11 ' A' ' 66' ' ' LEU . 11.3 mt -63.09 -18.2 63.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -154.76 152.96 26.86 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.618 0.723 . . . . 0.0 110.87 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.556 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 54.0 Cg_endo -69.75 -15.47 37.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 0.0 112.346 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -123.72 31.36 5.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -113.69 -122.54 3.84 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.481 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -142.14 179.96 6.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.77 0.319 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.7 p -78.61 139.82 38.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.506 HD11 ' HG ' ' A' ' 59' ' ' LEU . 8.7 mt -82.64 159.13 22.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -128.1 152.47 47.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.945 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -42.87 -49.87 5.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.833 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 68' ' ' ASP . 11.8 pt-20 -36.31 -35.49 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -66.58 144.32 56.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 32' ' ' PRO . 2.8 t -132.65 151.3 34.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.46 HD11 HG11 ' A' ' 30' ' ' VAL . 12.5 mt -62.6 -12.32 22.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -110.92 -12.65 14.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.1 mmtt -99.82 -29.04 12.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.959 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.829 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -60.24 155.34 46.87 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.606 0.717 . . . . 0.0 110.916 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 25.31 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.649 2.233 . . . . 0.0 112.325 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.808 HG11 ' HA ' ' A' ' 81' ' ' ALA . 4.4 t -120.87 170.74 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.637 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -111.57 -161.42 16.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.472 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.9 p -41.31 -41.79 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.921 0.391 . . . . 0.0 111.161 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.3 m -94.08 91.17 6.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.808 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -94.41 150.11 20.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.5 m -127.42 121.45 30.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.16 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 17.8 mt -117.19 135.68 53.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.556 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 96.8 m-85 -101.82 141.4 34.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.554 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 0.6 OUTLIER -95.72 134.25 38.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -128.96 135.72 49.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -67.76 112.63 4.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.1 tp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -117.35 -45.43 2.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 110.852 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -61.42 132.25 52.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.95 72.69 0.29 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.465 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -70.36 116.71 11.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.91 0.386 . . . . 0.0 110.833 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.6 p -140.03 169.11 18.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.826 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.66 -103.64 0.17 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.491 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -106.81 103.66 13.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.6 tttp -128.83 86.67 2.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.601 ' CD2' ' O ' ' A' ' 30' ' ' VAL . 1.0 OUTLIER -73.93 -174.63 1.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.526 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 6.8 m-85 -59.92 131.11 49.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 18.3 mp0 -97.22 109.95 22.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.542 ' CG2' HG21 ' A' ' 30' ' ' VAL . 46.9 t -117.44 111.62 35.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.142 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -112.22 109.54 19.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 98.1 mt -82.71 98.02 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 23' ' ' LYS . 27.1 mt -94.29 167.52 11.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -84.54 153.09 23.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.79 6.59 43.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -127.71 -56.79 1.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.5 p -95.56 -11.3 27.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 48.21 49.54 17.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -107.06 139.99 40.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.417 ' HA ' HD23 ' A' ' 16' ' ' LEU . 5.5 tppt? -57.72 109.74 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.4 mt -98.24 -37.06 9.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.8 t -152.31 128.51 10.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -116.29 110.97 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.7 mt -111.96 99.8 8.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -89.84 8.89 29.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -133.06 62.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.601 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 7.4 t -106.57 146.31 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.502 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 55.9 mt-10 -83.12 142.42 44.22 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.62 0.724 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.526 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.79 -30.08 22.72 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.667 2.244 . . . . 0.0 112.376 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -87.45 -7.53 57.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.502 ' HB2' ' HB2' ' A' ' 31' ' ' GLU . . . -65.95 126.66 29.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.091 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.495 HG22 HG22 ' A' ' 71' ' ' VAL . 68.9 p -86.81 164.51 16.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.101 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.484 HG22 ' HE3' ' A' ' 40' ' ' LYS . 26.8 mm -48.96 -39.57 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.96 -44.64 70.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -67.99 -44.11 77.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.511 ' HA ' HD12 ' A' ' 42' ' ' LEU . 50.3 mm -47.75 -51.77 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.578 ' CE ' HD12 ' A' ' 57' ' ' LEU . 2.0 mptm? -51.08 -47.36 61.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -54.69 -57.76 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 39' ' ' ILE . 32.2 mt -40.4 -39.76 1.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.715 ' CE1' ' NE2' ' A' ' 55' ' ' GLN . 4.9 t80 -70.96 -52.45 19.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 45' ' ' LYS . 6.8 m -45.67 -40.9 9.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.125 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 44' ' ' THR . 22.8 mtmt -34.99 -67.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.545 ' CG2' ' N ' ' A' ' 47' ' ' HIS . 1.1 t -58.49 -47.21 84.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.13 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.545 ' N ' ' CG2' ' A' ' 46' ' ' THR . 6.0 m-70 -114.48 94.55 36.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.531 0.682 . . . . 0.0 110.833 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.8 Cg_endo -69.78 -27.75 26.0 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 -67.66 -27.0 66.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -87.47 85.66 7.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -64.95 159.91 60.16 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.699 0.761 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -40.24 5.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -45.85 -27.86 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.8 ttt85 -98.51 -55.6 2.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.715 ' NE2' ' CE1' ' A' ' 43' ' ' PHE . 39.9 mt-30 -49.92 94.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 m -90.74 141.15 29.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.737 HD13 HD13 ' A' ' 83' ' ' LEU . 80.7 mt -124.92 141.55 52.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -146.46 161.11 41.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.448 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 4.9 mt -79.19 -6.85 57.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 59' ' ' LEU . 8.4 m-20 -173.39 147.73 1.46 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.568 0.699 . . . . 0.0 110.89 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.582 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.8 Cg_endo -69.73 -3.74 12.59 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.71 2.273 . . . . 0.0 112.372 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -124.8 22.13 8.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -114.96 -142.13 7.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.77 145.36 49.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.733 0.301 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 90.1 p -44.96 141.34 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.427 HD22 ' OD2' ' A' ' 70' ' ' ASP . 10.5 mt -81.32 160.48 24.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -116.46 153.96 31.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.43 -32.67 65.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.831 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -55.46 -21.89 18.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.427 ' OD2' HD22 ' A' ' 66' ' ' LEU . 65.1 m-20 -70.93 156.76 39.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.58 HG23 ' HE3' ' A' ' 74' ' ' LYS . 7.5 t -145.15 156.44 13.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 72' ' ' LEU . 10.6 mt -68.21 -10.41 54.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -109.86 -11.36 14.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.58 ' HE3' HG23 ' A' ' 71' ' ' VAL . 4.4 mtmp? -107.16 -25.16 11.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.881 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -62.46 154.39 72.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.72 . . . . 0.0 110.904 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 24.98 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.803 HG11 ' HA ' ' A' ' 81' ' ' ALA . 5.1 t -118.33 170.04 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.176 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.607 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -108.15 -167.32 21.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.449 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 78' ' ' GLY . 13.1 p -34.06 -42.47 0.13 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.897 0.38 . . . . 0.0 111.155 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.6 m -96.01 105.48 17.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.803 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -97.12 146.56 24.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 50.3 m -127.04 115.08 18.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.737 HD13 HD13 ' A' ' 57' ' ' LEU . 88.8 mt -108.19 154.99 20.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.582 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 64.5 m-85 -118.56 137.38 53.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.518 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 1.5 t80 -94.67 130.08 41.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.407 ' HG3' HD12 ' A' ' 88' ' ' LEU . 7.0 tpt180 -121.47 121.38 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -68.51 126.09 28.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.407 HD12 ' HG3' ' A' ' 86' ' ' ARG . 10.1 mp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.9 p -84.97 171.78 11.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.918 0.39 . . . . 0.0 110.818 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.7 m -112.08 -57.07 2.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.52 129.91 1.21 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 p -70.1 -49.48 50.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.925 0.393 . . . . 0.0 110.851 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.0 m -54.55 -58.99 5.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.24 172.99 13.46 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -117.06 74.41 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -90.99 81.91 5.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -135.27 176.11 8.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.561 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -92.87 138.16 31.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -100.43 110.05 22.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.579 HG22 ' HB3' ' A' ' 81' ' ' ALA . 92.1 t -117.82 120.06 63.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -109.15 104.86 14.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.9 mt -78.92 98.34 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 23' ' ' LYS . 17.9 mt -97.77 169.54 9.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -86.98 153.72 21.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.99 6.7 41.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -125.64 -62.3 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.5 p -93.64 -6.28 46.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.8 mtm-85 44.74 47.59 8.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.823 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -100.76 142.29 32.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.458 ' HA ' HD23 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -63.72 111.13 2.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.3 mt -97.72 -33.83 11.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.0 t -160.74 144.56 13.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -127.67 107.78 10.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.3 mt -104.57 96.15 6.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -97.0 20.82 10.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -133.63 34.43 3.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.5 HG11 HD11 ' A' ' 72' ' ' LEU . 15.1 t -93.48 146.13 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -85.06 152.41 58.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.671 0.748 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.561 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 54.2 Cg_endo -69.69 -38.34 8.09 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.714 2.276 . . . . 0.0 112.366 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.1 p-80 -78.45 -8.11 58.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.79 128.55 36.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 36' ' ' ILE . 72.5 p -91.64 148.26 22.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.206 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.645 HG22 ' NZ ' ' A' ' 40' ' ' LYS . 29.5 mm -35.43 -42.14 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.135 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.81 -52.26 19.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -62.95 -34.16 76.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.804 ' HA ' HD12 ' A' ' 42' ' ' LEU . 33.0 mm -55.64 -61.86 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.645 ' NZ ' HG22 ' A' ' 36' ' ' ILE . 4.3 mppt? -44.64 -46.55 10.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -54.56 -54.94 34.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.804 HD12 ' HA ' ' A' ' 39' ' ' ILE . 8.5 mt -46.12 -45.12 16.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.461 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 4.7 t80 -66.68 -32.35 73.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 45' ' ' LYS . 18.1 m -67.33 -41.24 85.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 44' ' ' THR . 35.7 mtmt -35.07 -69.15 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.2 m -54.22 -53.45 53.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.435 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 24.8 m-70 -109.51 96.65 23.74 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.594 0.712 . . . . 0.0 110.878 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 54.1 Cg_endo -69.73 -38.97 7.13 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.71 2.274 . . . . 0.0 112.347 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -53.62 -33.29 54.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -83.72 110.5 18.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.515 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -92.17 161.93 31.71 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.72 0.771 . . . . 0.0 110.896 -179.861 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -26.24 27.66 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.424 ' HB3' ' HD2' ' A' ' 51' ' ' TYR . . . -57.99 -14.13 5.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.515 ' HD2' ' CZ ' ' A' ' 51' ' ' TYR . 37.6 mtt180 -106.93 -62.32 1.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' ARG . 70.5 mt-30 -38.15 109.19 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.8 t -102.52 104.08 14.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.518 HD13 HD13 ' A' ' 83' ' ' LEU . 84.0 mt -88.84 141.23 28.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.431 ' HG3' ' C ' ' A' ' 57' ' ' LEU . 4.4 mtt180 -152.77 129.43 10.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.464 ' HG ' HD11 ' A' ' 66' ' ' LEU . 7.8 mt -55.05 -20.02 8.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -148.67 151.36 35.53 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.658 0.742 . . . . 0.0 110.857 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.555 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 54.2 Cg_endo -69.78 -12.2 32.37 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.59 21.67 8.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -102.21 -130.65 7.08 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.503 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -133.94 178.13 7.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.753 0.311 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.9 p -76.16 136.55 39.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.464 HD11 ' HG ' ' A' ' 59' ' ' LEU . 8.4 mt -81.56 159.53 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -122.38 160.54 25.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -53.92 -44.65 70.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -41.42 -31.39 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -66.88 143.31 56.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.0 t -128.25 151.74 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.5 HD11 HG11 ' A' ' 30' ' ' VAL . 12.5 mt -64.07 -10.16 20.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -112.38 -22.12 11.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -90.12 -29.8 18.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.837 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -58.62 155.23 30.66 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.609 0.719 . . . . 0.0 110.947 179.888 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 25.46 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.697 2.264 . . . . 0.0 112.287 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.778 HG11 ' HA ' ' A' ' 81' ' ' ALA . 8.1 t -120.07 169.39 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.591 ' N ' HG12 ' A' ' 77' ' ' VAL . . . -109.25 -167.1 20.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.509 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 78' ' ' GLY . 17.4 p -35.15 -47.92 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 111.13 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.2 m -89.33 95.68 10.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.778 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -95.43 147.75 23.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.058 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.9 m -126.61 130.32 50.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.518 HD13 HD13 ' A' ' 57' ' ' LEU . 63.0 mt -123.46 143.61 50.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.555 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 87.4 m-85 -109.58 133.69 52.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.566 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 0.6 OUTLIER -99.62 139.81 34.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.408 ' HG3' HD12 ' A' ' 88' ' ' LEU . 17.5 tpp85 -130.61 119.18 22.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.47 131.92 48.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.408 HD12 ' HG3' ' A' ' 86' ' ' ARG . 8.8 mp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -37.85 141.51 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 110.913 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.2 m -156.81 163.93 38.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.835 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.2 -42.45 8.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.449 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.0 m -38.18 149.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.377 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.8 m -64.92 158.9 24.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.97 -60.73 5.06 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.451 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -56.76 133.81 54.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.83 0.348 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.5 mttp -120.98 96.15 4.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -107.03 177.0 4.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.541 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 4.3 m-85 -94.11 143.53 26.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -105.49 110.06 22.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.454 HG22 ' HB3' ' A' ' 81' ' ' ALA . 74.2 t -117.08 105.69 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -98.23 102.55 14.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.7 mt -78.02 98.5 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.17 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.495 HD23 ' HA ' ' A' ' 23' ' ' LYS . 10.2 mt -100.07 171.47 7.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.452 ' OD2' HG22 ' A' ' 20' ' ' THR . 19.5 t0 -88.04 157.35 18.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.817 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.434 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . -87.11 -0.52 56.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.079 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -118.56 -75.35 0.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.952 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.707 HG23 ' H ' ' A' ' 22' ' ' GLU . 9.0 t -78.82 -18.77 53.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.198 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.443 ' O ' HD22 ' A' ' 16' ' ' LEU . 12.0 mtm180 60.32 28.97 18.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.707 ' H ' HG23 ' A' ' 20' ' ' THR . 71.2 mt-10 -75.26 139.89 42.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.495 ' HA ' HD23 ' A' ' 16' ' ' LEU . 3.8 tppp? -63.72 107.03 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.8 mt -92.26 -43.24 9.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t -151.42 145.53 25.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -132.89 99.23 4.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.7 mt -97.89 105.02 17.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.97 8.73 43.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -125.96 46.14 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.534 HG11 HD11 ' A' ' 72' ' ' LEU . 60.8 t -102.06 148.35 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -85.36 146.68 45.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.637 0.732 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.541 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.75 -34.84 13.81 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.645 2.23 . . . . 0.0 112.35 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.467 ' HA ' ' NE2' ' A' ' 73' ' ' GLN . 12.7 p-80 -82.3 1.11 38.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.67 131.28 42.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.459 HG22 HG22 ' A' ' 71' ' ' VAL . 73.6 p -89.8 155.1 19.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.191 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.579 HG22 ' HE2' ' A' ' 40' ' ' LYS . 44.0 mm -44.51 -41.07 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.11 -45.63 53.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -65.66 -47.08 76.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.628 ' HA ' HD12 ' A' ' 42' ' ' LEU . 38.4 mm -46.51 -49.68 5.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.579 ' HE2' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -50.98 -47.47 61.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.83 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -54.36 -56.57 17.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.628 HD12 ' HA ' ' A' ' 39' ' ' ILE . 10.7 mt -41.13 -56.97 2.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.522 ' CD1' ' NE2' ' A' ' 55' ' ' GLN . 4.5 t80 -54.81 -39.48 68.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.2 m -63.32 -39.42 94.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -37.28 -65.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.6 m -59.1 -60.94 3.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.186 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.438 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 36.8 m80 -102.44 96.9 7.89 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.606 0.717 . . . . 0.0 110.845 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.6 Cg_endo -69.8 -39.06 6.88 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.343 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -51.15 -30.77 17.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.4 ' N ' ' CD1' ' A' ' 50' ' ' TRP . 15.7 m0 -87.28 110.18 20.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.5 OUTLIER -88.47 161.19 43.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.681 0.753 . . . . 0.0 110.904 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -29.35 24.05 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.89 -25.44 65.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.576 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 25.5 ttt180 -93.25 -64.25 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.522 ' NE2' ' CD1' ' A' ' 43' ' ' PHE . 40.6 mt-30 -42.15 110.19 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.467 ' HB2' HD22 ' A' ' 88' ' ' LEU . 30.2 t -101.73 121.36 41.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.401 HD13 HD13 ' A' ' 83' ' ' LEU . 92.8 mt -105.92 148.42 27.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -156.69 135.85 12.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.754 HD21 HD21 ' A' ' 66' ' ' LEU . 5.7 mt -59.6 -15.6 19.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -158.07 150.63 17.93 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.604 0.716 . . . . 0.0 110.847 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.559 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.5 Cg_endo -69.8 -9.57 26.41 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.333 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -129.42 30.6 4.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -116.05 -122.27 3.43 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -138.17 174.35 10.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.5 t -79.39 141.05 37.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.754 HD21 HD21 ' A' ' 59' ' ' LEU . 7.0 mt -80.98 158.33 25.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -125.39 159.59 31.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -51.79 -38.74 56.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -47.33 -36.53 9.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.72 151.11 47.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.579 HG23 ' HE2' ' A' ' 74' ' ' LYS . 5.8 t -137.96 155.54 30.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.534 HD11 HG11 ' A' ' 30' ' ' VAL . 16.2 mt -67.33 -8.5 32.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.467 ' NE2' ' HA ' ' A' ' 33' ' ' HIS . 18.4 pt20 -113.31 -14.11 12.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.579 ' HE2' HG23 ' A' ' 71' ' ' VAL . 30.2 mtmt -103.45 -25.56 13.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.866 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -59.94 154.84 46.63 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.606 0.717 . . . . 0.0 110.911 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 24.94 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.665 2.244 . . . . 0.0 112.339 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.764 HG11 ' HA ' ' A' ' 81' ' ' ALA . 6.1 t -118.88 169.86 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.597 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -110.54 -166.31 19.22 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 78' ' ' GLY . 6.6 p -36.03 -43.38 0.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 111.164 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 28.3 m -92.48 97.08 10.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.764 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -97.1 145.45 25.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.2 m -130.17 129.33 43.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.401 HD13 HD13 ' A' ' 57' ' ' LEU . 21.0 mt -121.64 138.58 54.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.559 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 90.6 m-85 -101.37 139.28 37.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.513 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 1.5 t80 -98.99 129.68 45.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.451 ' HG3' ' CD1' ' A' ' 88' ' ' LEU . 4.5 tpt180 -122.74 137.28 54.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.56 ' O ' HD12 ' A' ' 88' ' ' LEU . 0.7 OUTLIER -73.46 120.19 18.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.56 HD12 ' O ' ' A' ' 87' ' ' ASP . 9.9 mp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -126.71 54.1 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.934 0.397 . . . . 0.0 110.899 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 m 53.07 44.9 29.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.24 -87.39 0.22 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.542 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.4 m -148.17 121.68 9.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 m -51.95 120.48 5.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.67 122.67 2.88 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.94 169.97 12.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.802 0.334 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -122.36 91.6 3.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -73.78 175.39 7.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.824 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.8 m-85 -91.78 146.59 23.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -106.44 110.05 22.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.473 HG22 ' HB3' ' A' ' 81' ' ' ALA . 95.9 t -119.44 113.03 39.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -106.63 103.26 12.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 92.6 mt -78.19 99.04 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 23' ' ' LYS . 23.0 mt -98.33 169.52 9.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -83.64 157.29 22.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.17 -4.97 58.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.065 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -115.57 -72.65 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.2 p -78.87 -13.87 59.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 49.85 51.44 16.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -105.06 144.89 31.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.475 ' HA ' HD23 ' A' ' 16' ' ' LEU . 3.4 tppp? -60.9 108.39 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.6 mt -96.4 -39.9 9.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t -153.5 137.79 16.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -124.2 108.88 12.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.7 mt -108.73 93.93 4.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -90.41 10.5 24.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -125.88 41.72 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.562 HG11 HD11 ' A' ' 72' ' ' LEU . 24.4 t -96.86 147.43 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -85.44 149.19 51.37 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.665 0.745 . . . . 0.0 110.839 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.567 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.83 -32.21 18.73 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.334 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -82.14 -13.33 57.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.828 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.44 124.7 20.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.5 p -85.85 164.74 17.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.469 ' CG1' ' HB2' ' A' ' 70' ' ' ASP . 42.6 mm -51.02 -42.56 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.04 -47.64 53.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -63.58 -47.91 79.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 40.5 mm -46.16 -47.78 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.104 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.442 ' NZ ' ' O ' ' A' ' 55' ' ' GLN . 16.1 mttm -56.19 -44.82 79.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -54.99 -53.47 55.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 45' ' ' LYS . 15.1 mt -45.19 -64.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.421 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 4.4 t80 -40.34 -34.83 0.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 45' ' ' LYS . 5.7 m -66.24 -41.72 89.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 42' ' ' LEU . 8.0 mtpm? -34.67 -63.72 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.1 m -59.89 -60.37 3.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.441 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 54.6 m-70 -105.52 99.5 21.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.562 0.696 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.6 Cg_endo -69.77 -43.36 2.7 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.734 2.289 . . . . 0.0 112.314 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -48.59 -36.82 16.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 18.0 m0 -80.89 82.13 6.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.62 162.14 5.23 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.661 0.743 . . . . 0.0 110.929 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -21.58 33.04 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.659 2.24 . . . . 0.0 112.338 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.81 -12.01 15.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.767 ' HA ' HD12 ' A' ' 88' ' ' LEU . 25.5 mtp180 -106.11 -55.44 2.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.442 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . 59.9 mt-30 -37.12 94.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.955 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 54' ' ' ARG . 36.9 m -98.12 106.94 19.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.411 HD13 HD13 ' A' ' 83' ' ' LEU . 39.8 mt -97.69 141.43 30.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -147.86 135.56 20.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.654 ' HG ' HD21 ' A' ' 66' ' ' LEU . 35.1 mt -57.98 -19.61 31.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -155.7 151.55 22.34 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.616 0.722 . . . . 0.0 110.851 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.515 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.8 Cg_endo -69.76 -5.5 16.37 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.325 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -126.35 22.0 7.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -108.17 -144.86 11.34 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.77 148.65 50.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.807 0.337 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.8 p -39.78 143.17 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.654 HD21 ' HG ' ' A' ' 59' ' ' LEU . 8.7 mt -83.13 155.49 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -110.38 146.02 36.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -48.81 -36.59 17.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.834 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -48.4 -32.59 7.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.469 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 4.4 m-20 -62.63 150.86 39.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -137.62 152.24 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.166 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.562 HD11 HG11 ' A' ' 30' ' ' VAL . 16.6 mt -64.67 -12.91 51.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -110.29 -14.22 14.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.0 mmtt -98.78 -28.5 13.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.835 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -59.25 155.46 35.26 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.621 0.724 . . . . 0.0 110.906 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 25.25 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.802 HG11 ' HA ' ' A' ' 81' ' ' ALA . 6.6 t -119.44 168.09 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.569 ' N ' HG12 ' A' ' 77' ' ' VAL . . . -102.8 -149.57 21.66 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.9 p -57.75 -25.57 60.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.857 0.36 . . . . 0.0 111.179 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 55.8 m -104.68 90.31 3.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.802 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -91.73 142.82 27.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.0 m -122.91 124.96 44.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.411 HD13 HD13 ' A' ' 57' ' ' LEU . 18.4 mt -117.91 141.78 48.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.515 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 87.8 m-85 -106.43 132.7 52.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.475 ' C ' ' CD1' ' A' ' 85' ' ' PHE . 1.6 t80 -95.84 140.67 30.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -129.27 135.27 48.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -77.57 125.29 29.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.767 HD12 ' HA ' ' A' ' 54' ' ' ARG . 79.5 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.4 m80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.838 0.352 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -90.88 146.38 23.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.432 ' HG2' ' CG ' ' A' ' 28' ' ' ASP . 28.2 mt-10 -107.39 110.6 22.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.583 HG22 ' HB3' ' A' ' 81' ' ' ALA . 87.5 t -119.28 109.45 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 pm0 -100.34 101.5 12.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.9 mt -75.27 100.66 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 23' ' ' LYS . 35.0 mt -99.07 168.93 9.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -84.97 156.91 20.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.72 3.17 55.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.62 -64.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.3 p -89.74 -4.79 57.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 41.19 46.13 2.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -99.42 139.68 34.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.465 ' HA ' HD23 ' A' ' 16' ' ' LEU . 2.5 tppp? -58.32 113.13 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.1 mt -101.11 -40.08 7.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.5 t -153.71 142.89 21.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -126.0 111.53 14.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.8 mt -109.79 92.58 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.432 ' CG ' ' HG2' ' A' ' 12' ' ' GLU . 13.2 t0 -91.8 13.73 17.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -127.98 43.55 3.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.607 HG11 HD11 ' A' ' 72' ' ' LEU . 40.5 t -100.55 145.75 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.414 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 9.6 mm-40 -83.22 148.07 55.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.64 0.733 . . . . 0.0 110.854 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.565 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.73 -39.28 6.75 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.698 2.266 . . . . 0.0 112.35 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 -77.4 -8.53 57.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.414 ' HB2' ' HB2' ' A' ' 31' ' ' GLU . . . -64.23 129.59 40.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.474 HG22 HG22 ' A' ' 71' ' ' VAL . 76.5 p -85.41 154.67 21.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.655 HG22 ' NZ ' ' A' ' 40' ' ' LYS . 50.5 mm -41.79 -42.87 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.696 ' HB2' ' HB2' ' A' ' 68' ' ' ASP . . . -49.81 -50.78 43.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -58.59 -42.63 88.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.4 mm -46.44 -50.16 5.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.655 ' NZ ' HG22 ' A' ' 36' ' ' ILE . 1.3 mptt -53.61 -52.37 60.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -45.65 -48.9 14.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.1 mt -51.09 -63.37 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.437 ' CG ' ' OE1' ' A' ' 55' ' ' GLN . 9.3 t80 -44.69 -31.63 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 45' ' ' LYS . 1.8 m -67.6 -41.83 83.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 44' ' ' THR . 66.8 mttm -36.89 -68.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.5 m -56.9 -57.12 13.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -106.08 93.82 8.41 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.614 0.721 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -36.52 10.85 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.699 2.266 . . . . 0.0 112.394 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -54.63 -29.93 53.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 17.0 m0 -87.21 114.54 23.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.52 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -91.52 161.87 33.18 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.659 0.742 . . . . 0.0 110.946 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -30.86 21.49 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.88 -17.58 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.52 ' HD2' ' CZ ' ' A' ' 51' ' ' TYR . 36.4 mtt180 -103.73 -62.13 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.437 ' OE1' ' CG ' ' A' ' 43' ' ' PHE . 57.5 mt-30 -38.14 109.88 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.8 t -109.92 110.95 22.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.532 HD13 HD13 ' A' ' 83' ' ' LEU . 61.2 mt -94.57 144.37 25.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.426 ' HG3' ' C ' ' A' ' 57' ' ' LEU . 4.5 mtt-85 -149.27 131.82 15.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.1 mt -55.64 -24.66 34.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -148.7 153.05 38.88 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.606 0.717 . . . . 0.0 110.883 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.531 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.4 Cg_endo -69.79 -8.81 24.54 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.315 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -131.18 28.82 4.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -111.76 -122.12 4.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -138.76 177.26 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.4 p -78.68 135.61 37.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 mt -73.23 159.01 34.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -129.12 143.91 51.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.696 ' HB2' ' HB2' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -37.07 -46.41 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' ASP . 10.4 pt-20 -34.98 -46.45 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -62.09 147.85 46.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.474 HG22 HG22 ' A' ' 35' ' ' THR . 13.1 t -131.62 156.03 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.165 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.607 HD11 HG11 ' A' ' 30' ' ' VAL . 13.3 mt -64.23 -10.63 24.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.414 ' HG2' ' CG1' ' A' ' 71' ' ' VAL . 15.5 pt20 -112.01 -19.44 12.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -93.17 -28.94 15.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.866 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -59.46 154.9 41.08 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.731 . . . . 0.0 110.907 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 24.9 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.652 2.235 . . . . 0.0 112.327 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.832 HG11 ' HA ' ' A' ' 81' ' ' ALA . 3.9 t -119.13 170.88 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.639 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -107.57 -151.18 16.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 34.1 p -51.47 -39.2 57.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.367 . . . . 0.0 111.127 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.4 m -97.46 96.56 8.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.205 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.832 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -94.1 148.7 21.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.076 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.8 m -124.97 124.96 43.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.532 HD13 HD13 ' A' ' 57' ' ' LEU . 26.6 mt -119.47 141.52 49.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.531 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 83.3 m-85 -105.31 132.54 51.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.57 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.6 OUTLIER -97.25 145.83 25.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.0 m80 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.867 0.365 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.506 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 4.2 m-85 -92.05 139.64 30.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -102.75 110.09 21.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.1 t -117.81 120.68 65.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -113.03 106.31 14.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.7 mt -80.24 100.53 4.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.3 mt -98.16 169.78 9.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -87.3 156.65 19.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.98 3.39 54.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -124.72 -60.06 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.5 p -93.49 -6.97 45.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 43.93 47.68 7.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -102.13 141.93 34.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -64.12 110.32 2.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.3 mt -97.61 -30.94 12.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t -155.0 144.01 20.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.551 ' CE2' ' OD1' ' A' ' 28' ' ' ASP . 28.2 t80 -129.26 108.16 10.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.0 mt -109.91 102.36 11.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.551 ' OD1' ' CE2' ' A' ' 26' ' ' PHE . 7.4 m-20 -99.53 2.11 44.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -118.29 42.63 2.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.2 t -95.38 149.74 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -90.24 147.01 35.91 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.64 0.733 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.506 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.76 -30.91 21.54 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.702 2.268 . . . . 0.0 112.357 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -84.09 -5.66 59.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.0 126.77 30.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.465 HG22 HG22 ' A' ' 71' ' ' VAL . 81.3 p -85.8 157.06 20.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.5 mm -46.03 -42.06 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.07 -45.07 64.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.129 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -65.42 -43.19 91.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.4 mm -51.27 -52.44 19.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.431 ' HE2' HD12 ' A' ' 57' ' ' LEU . 22.8 mttm -51.66 -41.48 61.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 -59.89 -49.51 77.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.5 mt -47.98 -58.18 4.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -49.63 -31.53 11.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 45' ' ' LYS . 2.9 m -66.43 -41.88 88.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 44' ' ' THR . 37.5 mtpt -34.97 -69.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.1 m -58.74 -54.76 43.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.165 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 51.5 m-70 -104.96 91.77 4.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.642 0.734 . . . . 0.0 110.856 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -33.22 17.28 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.717 2.278 . . . . 0.0 112.369 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -57.07 -31.17 64.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -86.3 116.11 24.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.545 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.4 OUTLIER -95.29 159.79 32.09 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.683 0.754 . . . . 0.0 110.918 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -22.56 31.96 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.662 2.241 . . . . 0.0 112.375 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.26 -26.18 61.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.545 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 7.4 ttm180 -95.35 -35.92 11.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -72.45 132.07 43.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.6 t -119.7 125.45 48.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.431 HD12 ' HE2' ' A' ' 40' ' ' LYS . 93.0 mt -110.9 141.22 44.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -149.84 139.52 21.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.751 HD21 HD21 ' A' ' 66' ' ' LEU . 4.0 mt -62.2 -27.28 68.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.87 151.74 60.42 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.605 0.717 . . . . 0.0 110.876 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.502 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.5 Cg_endo -69.74 -15.3 37.1 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.335 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -124.84 22.72 8.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -101.91 -124.79 5.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.3 ptmm? -138.1 175.62 9.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 83.8 p -75.72 133.99 40.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.751 HD21 HD21 ' A' ' 59' ' ' LEU . 7.9 mt -72.26 154.74 40.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 67' ' ' LYS . 1.7 mppt? -117.83 149.64 40.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -48.88 -46.32 42.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -41.59 -35.16 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.45 145.5 55.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.465 HG22 HG22 ' A' ' 35' ' ' THR . 6.6 t -133.76 159.32 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.44 ' N ' HG12 ' A' ' 71' ' ' VAL . 12.2 mt -68.26 -11.21 59.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -113.03 -4.28 13.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.402 ' NZ ' HG21 ' A' ' 71' ' ' VAL . 20.7 mttp -114.05 -25.06 8.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.817 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -60.03 155.42 44.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.55 0.69 . . . . 0.0 110.984 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 25.46 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.676 2.251 . . . . 0.0 112.347 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.755 HG11 ' HA ' ' A' ' 81' ' ' ALA . 6.8 t -120.66 169.78 11.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.186 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.592 ' N ' HG12 ' A' ' 77' ' ' VAL . . . -103.62 -154.47 23.96 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.538 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.9 p -50.8 -45.23 59.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 111.12 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.6 m -91.35 93.89 9.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.755 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -93.72 141.35 28.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.9 m -122.15 128.91 51.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 30.3 mt -120.85 143.89 48.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.502 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 88.3 m-85 -106.01 137.91 43.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.541 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -95.0 142.97 26.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.929 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.2 m80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.758 0.313 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.546 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 4.4 m-85 -85.59 138.33 32.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -102.98 109.91 21.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.568 HG22 ' HB3' ' A' ' 81' ' ' ALA . 98.7 t -115.35 111.78 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.429 ' OE1' ' NZ ' ' A' ' 23' ' ' LYS . 5.5 pt-20 -104.5 99.57 9.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.7 mt -77.46 106.41 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.9 mt -102.75 172.5 6.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -90.21 157.11 17.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.02 2.81 56.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -121.38 -63.8 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.3 p -92.46 -9.4 41.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.0 mtm180 48.12 50.53 16.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -105.46 137.47 43.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.429 ' NZ ' ' OE1' ' A' ' 14' ' ' GLU . 4.3 tppt? -60.88 106.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.6 mt -94.86 -31.7 13.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t -151.68 132.35 13.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -122.74 106.33 10.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.3 mt -107.35 102.19 11.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 11.7 t0 -99.67 10.8 40.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -125.41 35.29 4.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.536 HG11 HD11 ' A' ' 72' ' ' LEU . 19.6 t -90.35 156.34 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.065 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' N ' HG12 ' A' ' 30' ' ' VAL . 39.0 mt-10 -96.5 149.23 35.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.546 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.74 -43.87 2.43 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.705 2.27 . . . . 0.0 112.373 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -72.43 -4.03 27.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.62 132.42 48.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.1 p -93.45 152.59 18.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.633 HG22 ' HE2' ' A' ' 40' ' ' LYS . 26.0 mm -41.19 -42.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.42 -46.83 56.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -66.01 -44.95 83.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.425 ' HA ' HD12 ' A' ' 42' ' ' LEU . 31.0 mm -50.22 -41.75 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.633 ' HE2' HG22 ' A' ' 36' ' ' ILE . 24.8 mttm -62.67 -41.68 99.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -57.01 -41.78 79.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.773 HD23 ' HE3' ' A' ' 45' ' ' LYS . 9.5 mt -57.78 -60.86 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.522 ' CE1' ' OE1' ' A' ' 55' ' ' GLN . 8.2 t80 -46.64 -35.01 5.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 45' ' ' LYS . 3.0 m -65.18 -44.47 88.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.773 ' HE3' HD23 ' A' ' 42' ' ' LEU . 7.9 mtmp? -34.45 -68.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.541 HG22 ' CD2' ' A' ' 47' ' ' HIS . 31.5 m -59.39 -55.34 35.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.541 ' CD2' HG22 ' A' ' 46' ' ' THR . 6.1 m170 -105.5 90.67 4.23 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.566 0.698 . . . . 0.0 110.891 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -31.25 21.3 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.678 2.252 . . . . 0.0 112.398 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -60.24 -30.55 69.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 16.3 m0 -87.17 97.48 10.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.488 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.9 OUTLIER -77.53 160.58 74.65 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.657 0.741 . . . . 0.0 110.94 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -24.85 28.97 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.36 -15.63 63.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.488 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 17.0 ttt85 -105.77 -50.67 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.522 ' OE1' ' CE1' ' A' ' 43' ' ' PHE . 32.3 mt-30 -53.97 121.52 8.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.0 t -111.49 115.48 29.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.464 HD12 ' HE2' ' A' ' 40' ' ' LYS . 65.8 mt -99.27 143.15 29.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -151.98 135.63 16.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.415 HD21 HD21 ' A' ' 66' ' ' LEU . 11.5 mt -56.31 -27.68 56.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -144.11 155.88 58.3 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.618 0.723 . . . . 0.0 110.831 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.485 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 53.4 Cg_endo -69.81 -6.49 18.76 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.71 2.273 . . . . 0.0 112.327 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.454 ' C ' ' HE3' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -129.9 16.83 5.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -97.31 -121.26 4.16 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -148.0 175.9 10.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.75 0.31 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.9 t -72.74 137.31 45.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.415 HD21 HD21 ' A' ' 59' ' ' LEU . 5.7 mt -79.83 154.11 28.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -116.37 152.43 33.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.18 -40.55 16.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 70' ' ' ASP . 9.1 pt-20 -44.16 -39.14 4.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.4 ' N ' ' HG3' ' A' ' 69' ' ' GLU . 36.3 m-20 -62.98 148.32 47.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.0 t -134.62 155.26 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.536 HD11 HG11 ' A' ' 30' ' ' VAL . 12.3 mt -65.99 -8.8 24.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -113.56 -18.39 11.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -96.34 -27.42 14.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.855 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -58.71 155.1 32.23 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.704 . . . . 0.0 110.948 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 25.02 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.318 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.841 HG11 ' HA ' ' A' ' 81' ' ' ALA . 5.3 t -119.23 170.11 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.607 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -110.13 -165.31 19.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.536 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 78' ' ' GLY . 13.8 p -36.28 -43.19 0.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 111.138 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 89.3 m -94.36 97.95 10.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.841 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -94.86 145.27 25.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.069 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.8 m -128.0 123.32 34.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 46.6 mt -118.8 152.91 35.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.485 ' CE1' ' HD3' ' A' ' 61' ' ' PRO . 92.6 m-85 -115.46 132.33 56.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.508 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.6 OUTLIER -94.96 141.01 29.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.1 tpp85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.885 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.1 m80 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.808 0.337 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.537 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 4.3 m-85 -91.67 144.22 25.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -106.52 111.07 23.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.571 HG22 ' HB3' ' A' ' 81' ' ' ALA . 88.5 t -118.34 113.05 40.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -107.05 103.54 12.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 95.0 mt -79.15 101.25 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.569 HD23 ' HA ' ' A' ' 23' ' ' LYS . 15.9 mt -101.69 171.13 7.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -85.74 155.75 20.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.51 4.42 52.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.068 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -123.03 -65.01 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.7 p -90.73 -8.0 50.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 46.87 51.32 12.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -101.83 138.28 39.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.569 ' HA ' HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -58.29 105.87 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.3 mt -92.9 -38.39 11.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.405 ' HB2' ' CE2' ' A' ' 43' ' ' PHE . 1.8 t -153.64 148.87 26.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -135.78 105.92 6.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.0 mt -106.1 100.23 9.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 16.3 t0 -96.84 16.51 19.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -135.02 42.52 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.0 t -97.38 152.62 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -89.0 148.1 40.29 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.639 0.733 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.537 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.8 Cg_endo -69.74 -31.51 20.47 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.701 2.268 . . . . 0.0 112.327 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -82.4 -15.65 51.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.9 127.58 32.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.515 HG22 HG22 ' A' ' 71' ' ' VAL . 72.7 p -87.73 162.49 17.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.736 HG22 ' HE3' ' A' ' 40' ' ' LYS . 41.3 mm -49.31 -43.24 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.41 ' HB2' ' HB3' ' A' ' 68' ' ' ASP . . . -49.38 -48.69 46.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.19 -45.16 89.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 27.2 mm -48.72 -37.36 8.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.736 ' HE3' HG22 ' A' ' 36' ' ' ILE . 37.0 mttt -66.81 -41.89 86.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -56.77 -43.69 81.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.3 mt -55.79 -68.78 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.405 ' CE2' ' HB2' ' A' ' 25' ' ' CYS . 10.0 t80 -38.86 -47.51 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 45' ' ' LYS . 1.2 m -45.59 -45.72 13.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 44' ' ' THR . 5.8 mtpm? -35.67 -66.68 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.0 m -56.95 -50.52 72.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -112.8 97.77 42.59 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.585 0.707 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -36.41 10.89 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.639 2.226 . . . . 0.0 112.389 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -59.66 -31.41 69.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 13.7 m0 -81.59 93.43 6.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -75.19 160.21 80.7 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.641 0.734 . . . . 0.0 110.947 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -28.43 25.33 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.725 2.283 . . . . 0.0 112.368 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.14 -26.82 65.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -100.78 -45.62 5.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -48.81 98.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 t -98.8 131.59 44.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.433 ' C ' ' HG3' ' A' ' 58' ' ' ARG . 29.4 mt -117.41 144.38 45.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.433 ' HG3' ' C ' ' A' ' 57' ' ' LEU . 14.3 mtt-85 -148.2 135.56 20.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.44 ' HG ' HD21 ' A' ' 66' ' ' LEU . 15.6 mt -59.23 -22.13 60.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -151.31 153.3 32.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.595 0.712 . . . . 0.0 110.882 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.489 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.9 Cg_endo -69.75 -10.44 28.57 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -128.62 24.44 5.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -101.66 -123.37 5.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.511 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.404 ' C ' ' NH1' ' A' ' 58' ' ' ARG . 31.5 pttt -136.27 -176.23 4.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.785 0.326 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.8 p -83.73 125.07 31.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.44 HD21 ' HG ' ' A' ' 59' ' ' LEU . 9.7 mt -68.59 162.37 26.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -139.0 151.54 46.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 69' ' ' GLU . 13.7 p-10 -43.15 -49.46 6.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 68' ' ' ASP . 13.8 pt-20 -35.47 -37.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -65.67 148.75 51.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.515 HG22 HG22 ' A' ' 35' ' ' THR . 15.2 t -135.81 150.42 28.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.8 mt -60.8 -9.49 4.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -112.0 -20.35 12.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -90.39 -30.64 17.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.873 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -60.55 154.79 53.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.646 0.736 . . . . 0.0 110.887 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 25.0 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.667 2.245 . . . . 0.0 112.291 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.743 HG11 ' HA ' ' A' ' 81' ' ' ALA . 8.1 t -118.34 169.22 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.592 ' N ' HG12 ' A' ' 77' ' ' VAL . . . -107.77 -153.97 18.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.8 p -48.77 -43.41 37.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.905 0.383 . . . . 0.0 111.127 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.2 m -89.61 89.21 7.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.743 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -89.35 147.52 24.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.083 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 34.1 m -129.59 126.23 38.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.8 mt -120.79 150.11 41.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.489 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 86.2 m-85 -113.23 133.96 54.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.553 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 1.3 t80 -96.6 141.19 30.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.5 tpp85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 -179.91 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.4 m80 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.786 0.327 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.549 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.5 m-85 -89.11 137.99 31.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -100.16 109.98 22.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.492 HG22 ' HB3' ' A' ' 81' ' ' ALA . 90.3 t -116.86 114.25 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.421 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 11.3 pt-20 -104.12 100.5 10.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.9 mt -76.33 98.24 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.545 HD23 ' HA ' ' A' ' 23' ' ' LYS . 93.1 mt -98.73 172.12 7.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.411 ' HB3' ' N ' ' A' ' 21' ' ' ARG . 35.1 t70 -90.83 157.56 17.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.27 -11.54 43.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -107.13 -75.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.4 p -82.2 -10.8 59.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.411 ' N ' ' HB3' ' A' ' 17' ' ' ASP . 18.0 mtm-85 46.06 51.44 10.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -102.28 132.73 48.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.545 ' HA ' HD23 ' A' ' 16' ' ' LEU . 1.0 OUTLIER -49.55 107.79 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.1 mt -96.42 -39.84 9.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -158.57 140.81 14.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.421 ' CE2' ' HB3' ' A' ' 14' ' ' GLU . 14.3 t80 -128.13 105.93 8.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.409 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 17.0 mt -99.14 95.18 6.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -91.87 16.26 11.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -133.08 41.0 3.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.499 HG11 HD11 ' A' ' 72' ' ' LEU . 32.6 t -98.95 149.82 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -87.23 151.47 51.36 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.741 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.549 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 52.9 Cg_endo -69.82 -40.07 5.66 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.634 2.222 . . . . 0.0 112.326 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 -73.24 -20.16 60.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.92 126.79 17.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.0 p -87.85 162.64 16.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.739 HG22 ' HE3' ' A' ' 40' ' ' LYS . 42.7 mm -49.24 -43.55 16.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.09 -48.85 33.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -62.82 -47.5 83.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 51.4 mm -45.91 -47.42 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.116 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.739 ' HE3' HG22 ' A' ' 36' ' ' ILE . 36.7 mttt -57.6 -45.5 85.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -55.08 -52.54 62.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.9 mt -45.77 -63.6 0.93 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -45.24 -40.91 7.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 45' ' ' LYS . 4.2 m -62.13 -42.91 99.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 44' ' ' THR . 39.0 mtpt -34.19 -63.99 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.2 m -61.86 -57.36 12.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.194 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 30.7 m-70 -103.92 97.95 12.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.574 0.702 . . . . 0.0 110.872 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.4 Cg_endo -69.81 -43.72 2.46 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.609 2.206 . . . . 0.0 112.328 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -47.1 -34.8 6.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -82.6 94.65 7.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.467 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 1.0 OUTLIER -73.66 160.21 82.68 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.629 0.728 . . . . 0.0 110.948 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -25.03 28.93 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.25 . . . . 0.0 112.328 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.52 -18.67 65.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.09 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.467 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 9.5 ttt180 -100.96 -50.9 3.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -53.56 117.36 3.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.8 t -113.77 119.26 36.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 83' ' ' LEU . 75.6 mt -104.0 138.27 40.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.8 mtt-85 -142.92 135.4 27.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.612 HD21 HD21 ' A' ' 66' ' ' LEU . 5.8 mt -59.11 -20.82 56.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -153.15 153.74 29.96 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.587 0.708 . . . . 0.0 110.841 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.551 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.5 Cg_endo -69.79 -14.66 36.3 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.713 2.275 . . . . 0.0 112.305 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -124.6 32.89 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -113.43 -122.06 3.82 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -147.82 168.57 21.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.756 0.312 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 55.5 p -64.28 141.51 58.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.612 HD21 HD21 ' A' ' 59' ' ' LEU . 7.3 mt -81.57 155.45 25.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 7.0 mptt -115.56 144.83 43.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.14 -43.73 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -44.14 -37.52 3.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.435 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 5.8 m-20 -56.5 150.79 14.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.4 t -139.04 151.54 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.499 HD11 HG11 ' A' ' 30' ' ' VAL . 13.8 mt -62.68 -10.76 13.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -111.4 -18.03 12.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -94.25 -29.39 15.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.847 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -58.95 155.4 32.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.58 0.705 . . . . 0.0 110.915 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 25.02 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.694 2.263 . . . . 0.0 112.327 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.778 HG11 ' HA ' ' A' ' 81' ' ' ALA . 5.1 t -119.52 170.15 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.62 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -107.86 -153.41 17.72 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.522 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.5 p -48.19 -43.82 32.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 111.119 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 62.4 m -92.15 94.28 9.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.778 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -93.08 147.86 22.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 73.8 m -126.55 127.76 45.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 57' ' ' LEU . 33.9 mt -120.91 142.19 49.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.551 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 83.7 m-85 -107.05 134.69 49.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.433 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 2.9 t80 -94.85 140.66 29.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.95 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.4 m80 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.787 0.327 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.553 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -91.79 144.37 25.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -109.16 109.91 21.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.426 HG22 ' HB3' ' A' ' 81' ' ' ALA . 79.1 t -114.08 104.92 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -92.72 100.13 12.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.6 mt -77.13 98.17 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.123 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.9 mt -100.47 168.93 9.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -88.64 157.96 18.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.9 -10.23 45.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.18 -75.31 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.3 p -79.32 -14.27 59.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.133 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 51.69 50.74 18.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -103.03 144.63 31.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 105.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 mt -94.89 -37.09 11.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.3 t -149.6 139.56 21.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -129.03 106.1 8.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.3 mt -105.3 108.13 19.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -104.69 15.51 27.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -134.1 42.44 2.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.498 HG11 HD11 ' A' ' 72' ' ' LEU . 14.8 t -96.23 154.09 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -90.39 147.55 36.94 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.569 0.7 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.553 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 54.4 Cg_endo -69.77 -27.33 26.57 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.365 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -90.0 2.19 55.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.96 126.08 28.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 82.3 p -87.32 160.27 18.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.574 HG22 ' HE3' ' A' ' 40' ' ' LYS . 27.8 mm -48.98 -38.33 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.02 -45.42 64.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -69.82 -46.83 64.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.508 ' HA ' HD12 ' A' ' 42' ' ' LEU . 37.9 mm -46.6 -40.8 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.574 ' HE3' HG22 ' A' ' 36' ' ' ILE . 27.9 mttt -64.13 -43.42 95.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -57.0 -48.83 77.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 39' ' ' ILE . 19.9 mt -50.73 -55.73 15.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 5.2 t80 -54.06 -34.07 59.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 50' ' ' TRP . 20.9 m -67.66 -35.9 79.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -40.23 -68.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.4 m -55.58 -51.8 65.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -105.79 92.44 6.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -29.54 23.63 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.76 2.306 . . . . 0.0 112.291 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -63.47 -28.34 69.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.942 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.411 ' O ' HG23 ' A' ' 44' ' ' THR . 17.0 m0 -89.3 111.48 22.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.456 ' HD2' ' HB3' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -88.14 161.67 42.78 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.705 0.764 . . . . 0.0 110.951 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -19.35 36.43 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.718 2.279 . . . . 0.0 112.334 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.456 ' HB3' ' HD2' ' A' ' 51' ' ' TYR . . . -68.12 -2.17 7.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.443 ' HD2' ' CZ ' ' A' ' 51' ' ' TYR . 35.1 mtt180 -119.21 -54.69 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.401 ' OE1' ' CD1' ' A' ' 43' ' ' PHE . 53.4 mt-30 -45.2 109.91 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.0 m -109.04 109.38 20.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.828 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.727 HD13 HD13 ' A' ' 83' ' ' LEU . 97.1 mt -92.21 141.72 28.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.406 ' HG3' ' C ' ' A' ' 57' ' ' LEU . 3.5 mtt-85 -148.47 131.51 16.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.3 mt -54.76 -19.71 6.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -153.35 153.9 29.93 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.641 0.734 . . . . 0.0 110.851 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.482 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.78 -5.94 17.43 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.338 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -129.79 16.43 5.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -96.59 -128.76 5.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -135.44 175.9 9.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.7 p -75.98 129.36 36.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.2 mt -73.73 161.23 30.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -129.78 155.24 46.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -46.42 -42.52 15.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -39.98 -37.82 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.429 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 44.0 m-20 -63.03 156.89 23.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.6 t -141.76 151.86 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.498 HD11 HG11 ' A' ' 30' ' ' VAL . 12.7 mt -66.41 -12.94 59.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -110.68 -16.22 13.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm -97.43 -27.93 14.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.869 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -59.18 154.94 37.86 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.563 0.697 . . . . 0.0 110.931 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 24.75 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.821 HG11 ' HA ' ' A' ' 81' ' ' ALA . 4.6 t -118.63 170.31 8.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.138 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.621 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -112.72 -165.43 16.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 78' ' ' GLY . 19.9 p -34.51 -43.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 111.105 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.9 m -93.81 98.03 10.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.821 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -98.15 146.7 25.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.5 m -128.89 122.03 29.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.727 HD13 HD13 ' A' ' 57' ' ' LEU . 27.4 mt -115.76 145.5 42.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.482 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 82.6 m-85 -109.02 132.47 54.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -95.49 137.5 34.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.923 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.6 m80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.832 0.348 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.6 m-85 -87.89 146.33 25.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.953 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.411 ' HG2' ' CG ' ' A' ' 28' ' ' ASP . 24.3 mt-10 -107.1 109.83 21.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.495 HG22 ' HB3' ' A' ' 81' ' ' ALA . 89.0 t -116.76 112.08 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.107 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -102.91 101.37 11.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.4 mt -77.33 99.63 2.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.568 HD23 ' HA ' ' A' ' 23' ' ' LYS . 65.3 mt -99.36 169.62 9.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -86.58 156.51 20.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.24 -0.16 57.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -121.08 -63.88 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.9 p -87.88 -8.71 55.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.5 mtm180 44.31 46.35 7.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -101.77 144.29 30.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.568 ' HA ' HD23 ' A' ' 16' ' ' LEU . 4.8 tppt? -61.7 108.67 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.8 mt -95.49 -38.3 10.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.1 t -155.43 147.3 23.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -132.34 102.32 5.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.8 mt -102.14 95.37 6.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.411 ' CG ' ' HG2' ' A' ' 12' ' ' GLU . 19.9 t0 -92.03 11.24 25.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.48 40.71 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.591 HG11 HD11 ' A' ' 72' ' ' LEU . 27.9 t -95.9 148.92 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -86.68 146.61 41.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.665 0.745 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 54.1 Cg_endo -69.73 -36.52 10.73 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.356 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -75.51 -23.61 56.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.55 133.79 41.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.8 p -89.92 171.83 9.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.635 HG22 ' HE3' ' A' ' 40' ' ' LYS . 37.2 mm -55.71 -44.72 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.8 -47.9 30.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -62.0 -46.15 90.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.587 ' HA ' HD12 ' A' ' 42' ' ' LEU . 31.6 mm -46.02 -47.68 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.635 ' HE3' HG22 ' A' ' 36' ' ' ILE . 0.8 OUTLIER -52.94 -51.37 61.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.843 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -50.91 -55.55 16.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.587 HD12 ' HA ' ' A' ' 39' ' ' ILE . 12.4 mt -41.56 -47.16 3.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.557 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 4.7 t80 -67.69 -39.79 84.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 m -57.85 -39.33 77.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.167 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -38.05 -62.49 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.7 m -62.69 -58.89 5.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.183 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.425 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 37.2 m80 -101.36 98.84 9.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.59 0.709 . . . . 0.0 110.882 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.6 Cg_endo -69.76 -46.18 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 2.241 . . . . 0.0 112.332 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -46.59 -30.74 2.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 16.7 m0 -85.47 113.22 21.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -91.0 161.55 35.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.729 0.776 . . . . 0.0 110.895 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -9.79 26.98 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.541 ' HB3' ' HD2' ' A' ' 51' ' ' TYR . . . -81.04 -30.57 34.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.109 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.573 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 8.1 ttt180 -91.21 -49.39 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.557 ' OE1' ' CD1' ' A' ' 43' ' ' PHE . 38.5 mt-30 -52.7 93.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.6 t -86.9 134.67 33.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.468 HD13 HD13 ' A' ' 83' ' ' LEU . 83.6 mt -125.31 137.64 54.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.9 mtt180 -146.42 145.22 30.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.561 HD21 HD21 ' A' ' 66' ' ' LEU . 4.3 mt -65.1 -16.74 63.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -156.76 151.33 20.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.565 0.698 . . . . 0.0 110.858 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.487 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 54.6 Cg_endo -69.67 -11.19 30.43 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.704 2.269 . . . . 0.0 112.382 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -125.98 23.85 7.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -102.66 -121.2 4.87 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -141.84 178.63 7.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.767 0.318 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.8 p -78.65 120.67 23.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.561 HD21 HD21 ' A' ' 59' ' ' LEU . 7.0 mt -61.63 159.0 14.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.908 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -125.94 149.07 49.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.48 -44.8 36.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -43.1 -25.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -73.74 144.95 45.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.6 t -129.0 155.64 41.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.591 HD11 HG11 ' A' ' 30' ' ' VAL . 13.4 mt -65.34 -9.12 21.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.943 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -112.62 -24.12 9.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -88.69 -29.65 19.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.849 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -58.15 155.19 26.69 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.617 0.723 . . . . 0.0 110.912 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 25.08 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.82 HG11 ' HA ' ' A' ' 81' ' ' ALA . 4.9 t -120.1 170.37 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.093 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.623 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -110.92 -162.97 18.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.6 p -40.64 -39.24 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.369 . . . . 0.0 111.121 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 37.8 m -95.48 91.92 6.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.82 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -93.57 147.99 22.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.038 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.3 m -129.01 128.2 43.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.468 HD13 HD13 ' A' ' 57' ' ' LEU . 22.8 mt -121.25 137.29 54.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.487 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 81.4 m-85 -100.85 138.95 37.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.57 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.7 OUTLIER -95.29 139.86 31.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.879 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.5 m80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.778 0.323 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -99.74 137.61 37.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -100.62 109.96 22.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.505 HG22 ' HB3' ' A' ' 81' ' ' ALA . 85.2 t -116.91 121.25 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -110.6 99.98 8.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.7 mt -76.89 101.02 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.165 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mt -100.04 170.4 8.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -86.82 156.92 19.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.81 -1.14 57.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.434 ' HE2' ' C ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -117.6 -70.01 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.9 p -87.83 -5.3 58.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 mtt85 42.67 49.55 4.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -100.38 131.22 46.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -51.02 105.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.2 mt -93.48 -35.24 13.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -157.58 144.92 18.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -132.05 105.15 7.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.418 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 27.7 mt -101.58 97.53 7.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -93.91 11.57 29.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -129.17 47.38 2.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.421 HG11 HD11 ' A' ' 72' ' ' LEU . 20.4 t -105.4 145.06 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -83.66 151.03 60.86 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.655 0.74 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.555 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.8 Cg_endo -69.79 -44.82 1.84 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.354 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -70.02 -9.22 54.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.59 129.05 39.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.4 HG22 HG22 ' A' ' 71' ' ' VAL . 69.8 p -92.23 159.7 15.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.541 HG22 ' HE2' ' A' ' 40' ' ' LYS . 42.5 mm -46.18 -41.9 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.14 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.3 -48.91 45.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.054 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -63.0 -52.64 62.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.689 ' HA ' HD12 ' A' ' 42' ' ' LEU . 23.3 mm -38.35 -46.53 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.541 ' HE2' HG22 ' A' ' 36' ' ' ILE . 3.4 mptp? -55.4 -53.54 54.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -47.14 -46.89 23.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 39' ' ' ILE . 15.2 mt -52.4 -64.07 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.96 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.518 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 4.1 t80 -48.17 -34.94 10.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 m -66.87 -45.56 77.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.106 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -36.95 -63.41 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.87 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.7 m -59.37 -60.53 3.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.154 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -103.29 102.38 28.53 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.62 0.724 . . . . 0.0 110.861 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -44.95 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.714 2.276 . . . . 0.0 112.348 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -48.25 -37.67 16.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 13.8 m0 -78.72 103.53 8.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.477 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.6 OUTLIER -85.38 160.87 53.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.72 0.771 . . . . 0.0 110.913 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -26.26 27.68 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.25 -30.0 71.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.477 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 9.5 ttt85 -92.6 -59.58 2.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.518 ' OE1' ' CD1' ' A' ' 43' ' ' PHE . 32.6 mt-30 -45.17 115.08 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.5 t -110.46 140.36 44.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.502 HD13 HD13 ' A' ' 83' ' ' LEU . 97.3 mt -124.2 138.84 54.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.424 ' HG3' ' C ' ' A' ' 57' ' ' LEU . 8.6 mtt-85 -144.65 137.13 26.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.562 ' CD2' HD11 ' A' ' 66' ' ' LEU . 11.7 mt -59.41 -22.93 62.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -152.03 153.76 31.74 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.627 0.727 . . . . 0.0 110.835 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.572 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.5 Cg_endo -69.82 -13.14 34.12 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.251 . . . . 0.0 112.368 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -126.36 32.73 5.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -114.87 -124.86 3.94 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -137.24 179.97 6.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.2 p -85.1 131.41 34.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.562 HD11 ' CD2' ' A' ' 59' ' ' LEU . 8.2 mt -72.56 162.6 29.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -129.79 160.86 32.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.38 -47.03 37.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -41.35 -37.85 1.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -63.41 143.05 58.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.4 HG22 HG22 ' A' ' 35' ' ' THR . 3.0 t -131.96 156.0 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.421 HD11 HG11 ' A' ' 30' ' ' VAL . 13.3 mt -66.03 -13.97 60.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -110.16 -14.2 14.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -99.06 -28.26 13.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.828 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -59.34 155.55 35.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.548 0.689 . . . . 0.0 110.967 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 25.28 0.17 Allowed 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.701 2.267 . . . . 0.0 112.389 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.777 HG11 ' HA ' ' A' ' 81' ' ' ALA . 6.7 t -120.07 169.55 11.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.591 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -109.86 -164.62 19.65 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.522 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 78' ' ' GLY . 17.7 p -35.87 -46.56 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 111.163 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 60.2 m -90.93 97.87 11.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.777 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -97.94 139.97 32.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.0 m -119.02 125.6 49.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.154 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.502 HD13 HD13 ' A' ' 57' ' ' LEU . 18.5 mt -121.05 134.37 55.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.572 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 93.0 m-85 -98.41 142.31 30.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.625 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.1 OUTLIER -99.33 142.38 30.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.951 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.8 m80 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.811 0.338 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.571 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -92.3 142.34 27.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -103.13 109.9 21.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.2 t -117.67 114.92 46.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -106.05 99.62 9.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.4 mt -76.08 98.03 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.612 HD21 ' HD3' ' A' ' 23' ' ' LYS . 80.9 mt -99.43 171.24 8.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -89.64 156.04 18.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.74 -0.79 57.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.1 tptt -120.29 -72.93 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.9 p -80.28 -11.66 59.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 48.46 30.81 2.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -83.41 132.6 34.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.612 ' HD3' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -51.62 118.87 3.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.3 mt -103.32 -40.44 6.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.4 t -158.6 146.75 18.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -130.23 102.93 6.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.1 mt -101.28 99.63 10.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -95.2 8.55 42.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.1 mttt -122.83 37.21 4.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.599 HG11 HD11 ' A' ' 72' ' ' LEU . 16.5 t -91.51 146.37 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.134 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -84.39 146.32 47.28 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.625 0.726 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.571 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.7 Cg_endo -69.82 -31.69 19.77 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.324 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -83.22 -13.26 55.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.02 131.07 49.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.4 p -89.63 160.05 16.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.728 HG22 ' HE2' ' A' ' 40' ' ' LYS . 47.0 mm -48.32 -42.22 11.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.91 -46.57 52.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.53 -46.29 83.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.49 ' HA ' HD12 ' A' ' 42' ' ' LEU . 36.9 mm -43.41 -46.77 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.728 ' HE2' HG22 ' A' ' 36' ' ' ILE . 3.1 mptp? -54.06 -52.53 60.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -48.61 -52.78 21.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 39' ' ' ILE . 19.8 mt -44.57 -57.79 3.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -55.9 -48.19 76.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 45' ' ' LYS . 3.2 m -49.71 -41.57 43.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.171 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 44' ' ' THR . 38.2 mtmt -36.54 -66.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.4 m -58.11 -56.2 25.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.436 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 61.2 m-70 -106.55 98.68 21.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.569 0.7 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.8 Cg_endo -69.74 -41.79 3.99 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -50.91 -33.42 24.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 15.5 m0 -81.84 95.23 7.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.516 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 1.0 OUTLIER -74.44 160.3 81.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.662 0.744 . . . . 0.0 110.944 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -14.67 36.63 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.705 2.27 . . . . 0.0 112.347 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.94 -20.73 55.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.516 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 24.4 ttt180 -102.16 -41.05 6.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -66.69 99.81 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.8 t -96.7 147.43 23.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.715 HD13 HD13 ' A' ' 83' ' ' LEU . 96.8 mt -127.9 140.4 52.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 -144.95 138.46 26.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.502 HD21 HD21 ' A' ' 66' ' ' LEU . 7.4 mt -60.78 -24.54 65.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -147.77 150.94 37.65 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.614 0.721 . . . . 0.0 110.896 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.541 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.74 -11.45 30.89 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.729 2.286 . . . . 0.0 112.314 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.06 21.43 7.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -106.37 -138.16 8.98 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.503 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.1 mmmt -118.42 178.97 4.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.829 0.347 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.6 p -85.15 139.36 31.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.502 HD21 HD21 ' A' ' 59' ' ' LEU . 5.8 mt -79.6 162.6 25.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -131.22 153.24 49.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -44.78 -46.61 10.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -41.18 -37.56 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.401 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 1.6 m-20 -63.59 145.9 54.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.4 t -131.72 151.97 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.599 HD11 HG11 ' A' ' 30' ' ' VAL . 15.1 mt -61.52 -10.1 7.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.954 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -111.97 -19.62 12.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -91.78 -30.25 16.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.846 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -59.32 155.23 37.5 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.625 0.726 . . . . 0.0 110.928 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 25.07 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.765 HG11 ' HA ' ' A' ' 81' ' ' ALA . 5.7 t -119.82 170.13 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.618 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -112.2 -165.72 17.36 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.509 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 78' ' ' GLY . 71.1 p -34.45 -48.33 0.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.864 0.364 . . . . 0.0 111.135 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.1 m -89.41 95.46 10.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.765 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -98.23 148.2 23.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.6 m -126.15 126.39 44.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.145 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.715 HD13 HD13 ' A' ' 57' ' ' LEU . 28.7 mt -120.68 137.36 54.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.541 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 85.2 m-85 -103.08 140.57 37.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.559 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 1.2 t80 -97.61 145.27 26.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.442 ' N ' ' CD1' ' A' ' 85' ' ' PHE . 8.2 tpp180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.8 m80 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.78 0.324 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.504 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.3 m-85 -92.08 144.41 25.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -103.53 109.96 21.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.531 HG22 ' HB3' ' A' ' 81' ' ' ALA . 98.7 t -119.9 108.25 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.116 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -103.09 101.55 11.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 83.8 mt -73.94 99.43 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.544 HD23 ' HA ' ' A' ' 23' ' ' LYS . 56.4 mt -99.73 169.85 8.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.532 ' OD2' HG22 ' A' ' 20' ' ' THR . 20.5 t0 -85.7 157.45 20.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.68 -5.17 58.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.07 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -115.56 -75.34 0.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.657 HG23 ' H ' ' A' ' 22' ' ' GLU . 9.8 t -82.49 -11.09 58.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.438 ' O ' HD22 ' A' ' 16' ' ' LEU . 2.1 mtm105 55.06 26.19 7.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.657 ' H ' HG23 ' A' ' 20' ' ' THR . 18.8 mt-10 -68.77 131.63 45.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.544 ' HA ' HD23 ' A' ' 16' ' ' LEU . 3.4 tppp? -55.61 109.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.0 mt -92.69 -48.21 6.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.84 154.15 39.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.924 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -134.93 102.78 5.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.6 mt -103.56 102.09 11.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -99.53 2.41 44.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -116.99 38.57 3.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.762 HG11 HD11 ' A' ' 72' ' ' LEU . 21.0 t -90.9 154.0 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -94.6 144.77 28.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.639 0.733 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.504 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 54.0 Cg_endo -69.84 -30.99 21.03 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.325 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -83.0 -16.44 47.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.27 131.07 49.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.0 p -86.42 164.93 16.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.629 HG22 ' HE2' ' A' ' 40' ' ' LYS . 43.2 mm -52.62 -38.16 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.48 -46.22 73.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.108 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.43 -41.94 98.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.701 ' HA ' HD12 ' A' ' 42' ' ' LEU . 49.0 mm -48.36 -47.52 14.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.629 ' HE2' HG22 ' A' ' 36' ' ' ILE . 2.2 mptp? -53.52 -52.91 58.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -49.62 -48.0 49.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.701 HD12 ' HA ' ' A' ' 39' ' ' ILE . 20.6 mt -49.71 -52.58 30.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.502 ' CE1' ' OE1' ' A' ' 55' ' ' GLN . 3.9 t80 -60.0 -38.08 81.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 45' ' ' LYS . 2.3 m -62.4 -44.71 95.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 44' ' ' THR . 58.7 mttp -36.48 -67.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.509 HG22 ' CD2' ' A' ' 47' ' ' HIS . 32.9 m -58.84 -54.22 49.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.509 ' CD2' HG22 ' A' ' 46' ' ' THR . 16.4 m170 -108.86 96.75 21.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.598 0.713 . . . . 0.0 110.859 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 54.0 Cg_endo -69.77 -39.31 6.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.695 2.264 . . . . 0.0 112.352 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -52.9 -39.79 63.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -78.38 98.12 5.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -78.41 160.23 73.19 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.664 0.745 . . . . 0.0 110.895 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -28.64 24.88 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.332 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.65 -19.28 62.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.084 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.9 ttt-85 -104.39 -45.93 4.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.502 ' OE1' ' CE1' ' A' ' 43' ' ' PHE . 33.7 mt-30 -62.97 109.77 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.3 t -99.39 145.97 26.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.8 mt -133.0 134.38 44.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -147.09 146.83 30.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.6 mt -65.23 -25.91 67.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -145.36 152.03 49.03 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.617 0.722 . . . . 0.0 110.838 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.571 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.73 -13.25 34.47 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.318 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -125.67 27.24 6.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -103.51 -122.86 5.17 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.485 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -137.52 -176.15 4.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.33 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.1 p -86.25 121.63 29.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.0 mt -64.58 161.22 17.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -133.14 149.9 52.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 69' ' ' GLU . 3.9 p30 -42.69 -49.32 5.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 68' ' ' ASP . 10.1 pt-20 -35.9 -39.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.426 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 1.2 m-20 -61.81 149.84 38.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.2 t -133.11 153.34 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.762 HD11 HG11 ' A' ' 30' ' ' VAL . 13.1 mt -65.32 -11.77 45.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -111.53 -19.01 12.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.7 mmtt -94.05 -28.64 15.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.851 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -58.66 155.06 32.0 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.642 0.734 . . . . 0.0 110.877 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 25.11 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.809 HG11 ' HA ' ' A' ' 81' ' ' ALA . 5.7 t -119.46 169.73 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.599 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -110.06 -164.5 19.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.462 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 36.1 p -40.77 -38.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 111.132 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 28.0 m -94.7 89.17 5.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.809 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -90.45 143.86 26.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.1 m -124.48 121.91 36.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 36.7 mt -114.98 132.25 56.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.571 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 72.0 m-85 -96.23 143.67 27.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.618 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.1 OUTLIER -105.82 142.09 36.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.844 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.94 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.4 m80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.752 0.311 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.508 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -92.31 139.21 30.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -102.31 110.02 21.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.522 HG22 ' HB3' ' A' ' 81' ' ' ALA . 86.1 t -117.82 120.89 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -108.85 99.7 9.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.4 mt -74.99 104.0 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' A' ' 23' ' ' LYS . 21.0 mt -103.3 171.99 7.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -89.62 155.27 19.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.814 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.05 3.12 54.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -125.03 -64.92 1.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 64.9 p -88.06 -9.21 54.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.106 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 45.69 46.32 11.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -101.19 135.79 42.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.497 ' HA ' HD23 ' A' ' 16' ' ' LEU . 5.0 tppt? -53.65 108.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.9 mt -93.2 -39.11 11.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t -160.1 141.47 12.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -123.81 106.2 10.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.0 mt -102.43 98.77 8.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -93.14 8.85 38.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -127.37 46.91 2.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.682 HG11 HD11 ' A' ' 72' ' ' LEU . 29.3 t -100.85 143.21 14.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -81.63 145.53 54.79 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.632 0.73 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.508 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.81 -32.7 17.85 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.634 2.223 . . . . 0.0 112.333 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -82.94 -7.72 59.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.37 128.68 36.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 77.5 p -85.35 155.96 21.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.443 ' CG1' ' HB2' ' A' ' 70' ' ' ASP . 48.9 mm -43.51 -40.61 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.06 -50.07 62.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -59.21 -39.14 81.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.492 ' HA ' HD12 ' A' ' 42' ' ' LEU . 46.3 mm -54.5 -49.62 64.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -54.85 -43.66 73.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -57.81 -55.02 40.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 39' ' ' ILE . 24.2 mt -44.49 -59.52 2.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.483 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 4.4 t80 -50.7 -35.06 29.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 45' ' ' LYS . 16.7 m -63.34 -40.85 98.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 44' ' ' THR . 29.6 mtmt -34.4 -69.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.584 HG23 ' CD2' ' A' ' 47' ' ' HIS . 1.1 t -56.02 -47.2 78.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.584 ' CD2' HG23 ' A' ' 46' ' ' THR . 52.9 m170 -113.0 95.86 36.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.591 0.71 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.8 Cg_endo -69.75 -37.13 9.61 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -56.7 -33.19 66.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.401 ' CD1' ' N ' ' A' ' 50' ' ' TRP . 12.8 m0 -81.2 88.65 6.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -69.45 160.33 79.74 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.712 0.768 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -37.93 8.39 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.66 -23.84 1.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -102.43 -56.69 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.483 ' OE1' ' CD1' ' A' ' 43' ' ' PHE . 28.2 mt-30 -44.89 105.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 t -98.87 148.98 23.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.8 mt -131.71 143.11 50.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -152.23 141.45 21.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.432 HD21 HD21 ' A' ' 66' ' ' LEU . 4.5 mt -65.26 -15.91 63.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -158.06 153.33 21.89 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.607 0.718 . . . . 0.0 110.851 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.546 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 54.0 Cg_endo -69.73 -10.36 28.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.657 2.238 . . . . 0.0 112.386 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -126.23 19.41 7.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -97.96 -137.95 9.94 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.438 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.423 ' HD3' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -118.56 179.25 4.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.762 0.315 . . . . 0.0 110.887 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.5 p -85.69 103.44 14.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.809 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.432 HD21 HD21 ' A' ' 59' ' ' LEU . 9.3 mt -46.11 157.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -133.04 150.04 52.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 69' ' ' GLU . 2.0 p30 -40.16 -52.01 2.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.461 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 9.5 pt-20 -34.93 -39.62 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.443 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 0.9 OUTLIER -59.63 148.24 34.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -134.34 152.48 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.183 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.682 HD11 HG11 ' A' ' 30' ' ' VAL . 14.0 mt -65.02 -12.37 49.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -111.01 -16.59 13.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt -96.52 -28.37 14.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.849 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -59.22 155.17 36.81 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.66 0.743 . . . . 0.0 110.874 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 24.97 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.669 2.246 . . . . 0.0 112.332 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.776 HG11 ' HA ' ' A' ' 81' ' ' ALA . 3.8 t -119.73 170.95 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.644 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -112.28 -162.75 16.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.5 p -39.4 -36.52 0.37 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.848 0.356 . . . . 0.0 111.144 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.0 m -98.28 94.79 6.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.162 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.776 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -97.75 143.09 28.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.3 m -121.71 122.03 38.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 50.6 mt -117.0 137.2 52.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.546 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 83.5 m-85 -103.47 136.33 43.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -95.96 141.41 29.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.906 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.3 m80 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.817 0.342 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.508 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -90.33 138.32 31.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -100.01 110.12 22.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.711 HG22 ' HB3' ' A' ' 81' ' ' ALA . 79.8 t -118.75 116.88 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.084 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -110.0 100.03 9.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.417 HD12 ' HD2' ' A' ' 43' ' ' PHE . 68.1 mt -73.36 99.83 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 23' ' ' LYS . 30.9 mt -98.7 170.68 8.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -88.82 155.4 19.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.1 -1.44 57.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -118.47 -67.15 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.9 p -88.15 -10.09 51.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.0 mtm-85 47.49 47.29 17.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -99.49 137.25 38.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.446 ' HA ' HD23 ' A' ' 16' ' ' LEU . 2.9 tppp? -57.24 107.79 0.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.5 mt -93.12 -37.66 12.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -158.56 140.52 13.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -124.06 109.98 14.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.1 mt -109.63 101.17 10.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -97.43 9.75 41.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.797 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -124.96 40.7 3.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.438 HG11 HD11 ' A' ' 72' ' ' LEU . 20.8 t -96.5 145.69 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -84.96 149.18 52.69 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.662 0.744 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.508 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.8 Cg_endo -69.76 -37.67 8.84 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -77.3 -5.89 51.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.819 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.88 129.01 38.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.472 HG22 HG22 ' A' ' 71' ' ' VAL . 73.2 p -92.05 156.01 17.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.117 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.501 HG22 ' HE2' ' A' ' 40' ' ' LYS . 49.4 mm -41.36 -44.42 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.88 -52.05 15.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -61.31 -45.06 96.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.603 ' HA ' HD12 ' A' ' 42' ' ' LEU . 48.2 mm -47.1 -48.93 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.501 ' HE2' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -54.15 -48.51 70.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -51.84 -53.55 39.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 39' ' ' ILE . 10.6 mt -45.65 -61.33 1.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.417 ' HD2' HD12 ' A' ' 15' ' ' ILE . 4.4 t80 -50.16 -37.02 32.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 45' ' ' LYS . 1.9 m -58.82 -43.68 90.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.154 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 44' ' ' THR . 26.9 mttm -36.6 -67.8 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.6 m -59.17 -59.01 6.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.145 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 31.2 m-70 -102.51 96.66 7.66 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.617 0.722 . . . . 0.0 110.856 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.8 Cg_endo -69.71 -39.7 6.28 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -50.95 -28.04 8.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.404 ' O ' HG23 ' A' ' 44' ' ' THR . 18.6 m0 -87.67 116.24 25.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.477 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -98.45 160.77 27.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.678 0.751 . . . . 0.0 110.924 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -28.21 25.84 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.382 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.1 -34.59 78.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.477 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 9.2 ttm180 -90.42 -53.02 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -50.02 114.33 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 t -107.5 139.1 42.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.426 HD12 HG23 ' A' ' 36' ' ' ILE . 68.9 mt -122.78 142.65 50.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -149.55 138.19 20.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.4 mt -62.49 -25.4 67.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.87 150.29 49.24 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.614 0.721 . . . . 0.0 110.843 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.569 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.9 Cg_endo -69.77 -11.62 31.2 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 pttm -125.85 23.0 7.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -100.22 -119.78 4.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -142.48 -179.19 6.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.782 0.325 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.9 p -78.96 129.66 34.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.8 mt -74.05 160.62 31.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -131.93 151.53 51.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 70' ' ' ASP . 2.0 m-20 -46.28 -48.05 18.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -38.96 -27.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 68' ' ' ASP . 1.8 m-20 -72.85 145.01 47.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.472 HG22 HG22 ' A' ' 35' ' ' THR . 3.0 t -129.48 152.23 36.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.438 HD11 HG11 ' A' ' 30' ' ' VAL . 12.4 mt -64.34 -11.47 32.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -111.47 -17.36 13.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -95.19 -29.45 14.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.816 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -58.82 155.43 31.28 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.649 0.738 . . . . 0.0 110.907 179.886 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 25.76 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.244 . . . . 0.0 112.395 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.678 HG11 ' HA ' ' A' ' 81' ' ' ALA . 21.3 t -121.14 167.61 14.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.6 ' N ' HG12 ' A' ' 77' ' ' VAL . . . -107.54 -161.68 21.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 47.3 p -40.12 -45.36 1.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.361 . . . . 0.0 111.142 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 35.2 m -86.48 92.74 8.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.711 ' HB3' HG22 ' A' ' 13' ' ' VAL . . . -91.85 139.55 30.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.07 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.3 m -123.92 117.93 25.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.181 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.411 HD13 HD13 ' A' ' 57' ' ' LEU . 23.1 mt -114.1 140.66 48.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.569 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 75.0 m-85 -105.58 138.56 41.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.585 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -100.17 138.48 37.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.922 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.7 m80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.842 0.353 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.561 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 2.9 m-85 -101.41 142.94 32.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -102.78 109.95 21.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.517 HG22 ' HB3' ' A' ' 81' ' ' ALA . 98.5 t -119.12 124.56 73.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.123 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -113.82 100.28 8.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.0 mt -74.78 99.23 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 23' ' ' LYS . 12.0 mt -97.97 169.88 9.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.938 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -88.13 157.32 18.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.0 -4.76 58.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -114.29 -74.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.0 p -79.92 -12.07 59.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.5 mtm105 47.99 52.35 13.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -105.89 137.99 42.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.451 ' HA ' HD23 ' A' ' 16' ' ' LEU . 5.9 tppt? -55.72 104.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.7 mt -92.24 -29.77 16.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.931 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -163.69 143.27 8.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -129.71 102.98 6.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.447 HD13 HD13 ' A' ' 42' ' ' LEU . 15.1 mt -99.93 103.31 14.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -98.48 6.67 47.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -121.25 39.87 3.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.703 HG11 HD11 ' A' ' 72' ' ' LEU . 14.2 t -96.61 143.3 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.112 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -83.08 148.31 56.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.561 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.7 Cg_endo -69.77 -29.68 23.45 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.718 2.279 . . . . 0.0 112.377 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -86.18 -9.4 56.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.31 135.73 57.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.5 p -93.23 159.36 15.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.67 HG22 ' HE3' ' A' ' 40' ' ' LYS . 45.4 mm -46.34 -42.9 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.426 ' HB2' ' HB3' ' A' ' 68' ' ' ASP . . . -48.23 -53.57 16.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -58.29 -40.9 83.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.659 ' HA ' HD12 ' A' ' 42' ' ' LEU . 35.8 mm -52.87 -55.49 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.67 ' HE3' HG22 ' A' ' 36' ' ' ILE . 41.3 mttt -49.43 -47.1 48.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -52.12 -51.82 55.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' A' ' 39' ' ' ILE . 15.4 mt -46.68 -62.55 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.433 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 5.6 t80 -48.15 -30.53 4.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.4 m -69.79 -40.65 75.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -38.66 -61.02 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.1 m -61.31 -60.14 4.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.189 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 41.8 m-70 -100.8 99.06 9.38 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.61 0.719 . . . . 0.0 110.867 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 54.1 Cg_endo -69.68 -42.0 3.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.758 2.305 . . . . 0.0 112.349 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -50.46 -33.94 22.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.405 ' CE3' ' CE1' ' A' ' 43' ' ' PHE . 18.1 m0 -81.96 115.56 21.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.494 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -97.44 159.6 30.77 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.672 0.748 . . . . 0.0 110.909 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -28.78 24.46 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.63 2.22 . . . . 0.0 112.35 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.42 -30.84 71.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.089 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.494 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 7.2 ttm180 -90.6 -42.83 10.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -64.54 139.64 58.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.9 t -130.73 126.64 36.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.4 mt -105.6 138.13 42.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.951 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -146.02 136.67 24.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.7 mt -62.46 -22.2 66.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -147.62 150.74 37.58 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.572 0.701 . . . . 0.0 110.895 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.561 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.8 Cg_endo -69.74 -11.48 30.95 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.01 18.86 8.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -97.99 -125.89 5.33 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -137.29 -176.87 4.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.808 0.337 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.4 p -80.11 137.25 36.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.0 mt -80.95 161.46 24.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -133.4 150.52 51.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 70' ' ' ASP . 0.9 OUTLIER -44.08 -50.26 8.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' ASP . 8.4 pt-20 -34.88 -34.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' ASP . 42.9 m-20 -67.8 143.95 55.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.2 t -129.93 153.22 38.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.703 HD11 HG11 ' A' ' 30' ' ' VAL . 17.6 mt -63.89 -12.2 34.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -111.02 -15.4 13.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -97.2 -29.04 13.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.832 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -59.67 155.48 39.68 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.619 0.723 . . . . 0.0 110.917 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 25.34 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.342 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.721 HG11 ' HA ' ' A' ' 81' ' ' ALA . 3.7 t -120.67 170.81 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.641 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -110.51 -165.43 19.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 78' ' ' GLY . 36.3 p -34.77 -51.36 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 111.138 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.2 m -88.14 98.77 11.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.721 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -98.93 151.51 20.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.093 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.4 m -127.53 129.34 47.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.158 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 32.2 mt -122.25 141.96 50.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.561 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 73.7 m-85 -107.07 134.97 49.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.509 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -97.75 145.34 26.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.912 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.439 ' CG ' ' HA ' ' A' ' 29' ' ' LYS . 12.3 m80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.816 0.341 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.54 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.5 m-85 -97.91 144.23 27.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -103.42 109.86 21.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.5 HG22 ' HB3' ' A' ' 81' ' ' ALA . 99.5 t -119.46 116.52 51.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -109.72 101.5 10.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.5 mt -74.92 98.49 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.536 HD23 ' HA ' ' A' ' 23' ' ' LYS . 51.8 mt -97.77 167.59 10.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -85.74 157.53 20.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.29 -2.24 57.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.9 ttmt -119.42 -66.16 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.9 p -87.82 -3.94 58.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 mtm-85 42.33 33.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -84.2 139.83 32.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.536 ' HA ' HD23 ' A' ' 16' ' ' LEU . 3.0 tppp? -60.59 109.55 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.0 mt -91.68 -44.08 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.8 t -153.75 153.97 33.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -135.37 107.14 7.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.3 mt -107.69 106.02 16.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -100.44 2.3 42.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.439 ' HA ' ' CG ' ' A' ' 10' ' ' HIS . 1.7 mppt? -118.48 40.87 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.5 HG11 HD11 ' A' ' 72' ' ' LEU . 24.2 t -95.66 147.07 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -85.54 147.35 46.43 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.668 0.747 . . . . 0.0 110.842 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.54 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.8 -30.76 21.59 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.734 2.289 . . . . 0.0 112.315 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -83.12 -8.41 59.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.42 127.27 30.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.5 p -89.09 153.39 21.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.437 HG22 ' HE3' ' A' ' 40' ' ' LYS . 45.7 mm -42.9 -38.27 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.456 ' HB2' ' HB3' ' A' ' 68' ' ' ASP . . . -54.48 -44.79 72.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.11 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -69.4 -41.85 75.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.429 ' HA ' HD12 ' A' ' 42' ' ' LEU . 45.0 mm -50.24 -43.22 21.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.548 ' CE ' HD12 ' A' ' 57' ' ' LEU . 2.1 mptm? -57.59 -46.37 84.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -53.87 -54.94 31.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 39' ' ' ILE . 18.4 mt -43.13 -49.22 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.503 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 5.4 t80 -63.31 -40.89 98.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.4 m -62.83 -37.26 86.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.206 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -39.05 -65.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.4 m -61.01 -56.44 21.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.433 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 10.2 m170 -103.06 95.84 7.18 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.572 0.701 . . . . 0.0 110.832 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 54.2 Cg_endo -69.76 -38.35 7.91 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.642 2.228 . . . . 0.0 112.368 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -56.93 -32.08 65.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 17.9 m0 -83.93 93.0 7.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -73.64 159.78 83.71 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.674 0.75 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -39.67 6.11 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.285 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -45.95 -23.45 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.8 ttt85 -103.27 -37.46 7.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.503 ' OE1' ' CD1' ' A' ' 43' ' ' PHE . 32.0 mt-30 -64.56 79.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 m -81.1 117.48 21.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.622 HD13 HD13 ' A' ' 83' ' ' LEU . 52.1 mt -102.2 144.65 30.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -149.94 140.27 22.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.521 HD21 HD21 ' A' ' 66' ' ' LEU . 6.7 mt -59.23 -10.69 3.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.499 ' HA ' ' CD2' ' A' ' 84' ' ' TYR . 8.1 m-20 -169.26 151.25 4.54 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.576 0.703 . . . . 0.0 110.901 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.589 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.4 Cg_endo -69.75 -4.35 13.84 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.327 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -127.96 24.49 6.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -114.81 -136.94 6.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.446 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.64 154.75 37.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.3 p -63.72 119.49 10.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.521 HD21 HD21 ' A' ' 59' ' ' LEU . 7.6 mt -59.16 159.91 6.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -129.2 157.78 40.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.456 ' HB3' ' HB2' ' A' ' 37' ' ' ALA . 1.4 p-10 -48.6 -48.22 39.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -40.0 -36.48 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -63.53 148.57 48.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.7 t -133.85 152.02 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.5 HD11 HG11 ' A' ' 30' ' ' VAL . 12.5 mt -63.74 -9.3 13.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -112.44 -22.94 10.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -89.82 -29.39 18.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.868 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -59.13 154.86 37.72 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.611 0.719 . . . . 0.0 110.896 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 24.8 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.723 2.282 . . . . 0.0 112.321 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.798 HG11 ' HA ' ' A' ' 81' ' ' ALA . 5.8 t -118.65 169.87 8.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.603 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -109.01 -166.65 20.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 78' ' ' GLY . 20.3 p -36.32 -42.8 0.34 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.864 0.364 . . . . 0.0 111.155 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 63.5 m -94.2 98.14 10.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.798 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -97.95 152.36 19.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.0 m -130.98 126.4 35.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.622 HD13 HD13 ' A' ' 57' ' ' LEU . 46.9 mt -115.01 150.24 36.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.589 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 65.8 m-85 -117.26 133.24 56.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.521 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 2.4 t80 -94.42 131.1 40.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.917 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.483 ' CG ' ' HA ' ' A' ' 29' ' ' LYS . 12.3 m80 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.844 0.354 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.536 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 4.5 m-85 -97.83 136.56 37.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -100.03 109.93 22.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.506 HG22 ' HB3' ' A' ' 81' ' ' ALA . 95.5 t -116.14 116.17 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -102.49 95.99 6.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.2 mt -75.17 98.57 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.127 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.8 mt -97.95 168.76 10.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -83.77 157.19 22.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 85' ' ' PHE . . . -89.49 -1.12 57.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.3 tptp -122.54 -63.51 1.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.3 p -87.3 -7.1 58.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.9 mtt85 42.24 51.18 4.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -106.25 142.29 36.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.85 101.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.5 mt -89.14 -35.27 16.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.8 t -156.24 141.58 17.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -128.49 100.71 5.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.403 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 17.2 mt -99.95 100.36 11.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -97.24 13.48 29.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.483 ' HA ' ' CG ' ' A' ' 10' ' ' HIS . 3.1 mppt? -130.44 38.78 3.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.474 HG11 HD11 ' A' ' 72' ' ' LEU . 45.7 t -93.64 150.33 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -88.34 147.96 41.34 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.665 0.745 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.536 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.7 -34.8 14.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.718 2.279 . . . . 0.0 112.341 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -79.05 -6.84 57.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.08 132.28 48.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.463 HG22 HG22 ' A' ' 71' ' ' VAL . 73.9 p -93.47 151.52 19.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.161 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.423 HG22 ' HE2' ' A' ' 40' ' ' LYS . 44.3 mm -38.99 -37.7 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.102 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.4 -46.76 76.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -62.87 -45.48 92.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.5 mm -47.48 -47.54 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.423 ' HE2' HG22 ' A' ' 36' ' ' ILE . 26.6 mttm -58.01 -44.44 87.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -53.89 -51.34 64.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.87 HD23 ' CE ' ' A' ' 45' ' ' LYS . 10.2 mt -51.07 -55.11 19.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.949 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.601 ' CE1' ' OE1' ' A' ' 55' ' ' GLN . 8.3 t80 -51.27 -29.03 13.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.93 -43.28 45.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.172 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.87 ' CE ' HD23 ' A' ' 42' ' ' LEU . 20.6 mtmm -38.01 -53.98 1.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.6 m -70.8 -54.24 12.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -105.51 95.95 11.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.631 0.729 . . . . 0.0 110.865 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -33.24 16.99 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.686 2.257 . . . . 0.0 112.324 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -61.77 -31.28 71.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 14.5 m0 -85.78 113.41 21.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.5 OUTLIER -91.27 160.58 36.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.681 0.753 . . . . 0.0 110.928 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -28.38 25.17 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.08 -26.06 67.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.57 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 26.0 ttt180 -91.24 -54.36 3.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.601 ' OE1' ' CE1' ' A' ' 43' ' ' PHE . 36.4 mt-30 -59.54 116.88 4.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 t -115.19 108.95 17.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.496 HD13 HD13 ' A' ' 83' ' ' LEU . 22.6 mt -86.75 142.39 28.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -150.62 138.76 20.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.446 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 8.5 mt -57.53 -11.99 2.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.446 ' CG ' ' O ' ' A' ' 59' ' ' LEU . 9.7 m-20 -166.78 149.59 6.05 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.584 0.707 . . . . 0.0 110.876 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.58 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.75 -3.94 13.01 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.8 pttt -126.76 26.52 6.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -116.24 -125.73 3.83 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.546 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -141.08 154.57 46.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.802 0.335 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 84.2 p -58.13 129.87 43.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.407 HD11 ' CD2' ' A' ' 59' ' ' LEU . 7.4 mt -70.52 159.2 34.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -120.46 150.1 41.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 69' ' ' GLU . 5.3 p-10 -42.3 -50.18 5.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.846 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 68' ' ' ASP . 23.8 pt-20 -35.33 -41.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -62.21 146.13 51.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.463 HG22 HG22 ' A' ' 35' ' ' THR . 9.8 t -132.48 154.86 40.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.474 HD11 HG11 ' A' ' 30' ' ' VAL . 15.2 mt -66.69 -6.75 16.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -113.6 -20.02 11.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -97.28 -26.46 14.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.842 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -58.67 155.24 31.06 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.583 0.706 . . . . 0.0 110.923 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 25.35 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.643 2.229 . . . . 0.0 112.295 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.801 HG11 ' HA ' ' A' ' 81' ' ' ALA . 5.3 t -120.22 170.21 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.613 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -109.35 -163.9 20.03 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.2 p -38.35 -42.14 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.359 . . . . 0.0 111.128 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.1 m -95.04 98.96 11.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.801 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -97.79 151.07 20.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 65.4 m -129.24 130.02 45.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.496 HD13 HD13 ' A' ' 57' ' ' LEU . 21.4 mt -121.48 147.66 45.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.58 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 72.2 m-85 -115.14 131.4 56.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.615 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.1 OUTLIER -95.15 152.48 18.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.883 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.472 ' N ' ' CD1' ' A' ' 85' ' ' PHE . 8.0 tpt180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.1 m80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.813 0.339 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 4.0 m-85 -87.56 137.63 32.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -99.58 110.34 22.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.458 HG22 ' HB3' ' A' ' 81' ' ' ALA . 97.3 t -120.0 116.31 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.095 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.7 pm0 -107.61 102.59 11.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.5 mt -76.22 105.81 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.557 HD23 ' HA ' ' A' ' 23' ' ' LYS . 55.3 mt -107.15 174.4 5.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.431 ' OD2' HG22 ' A' ' 20' ' ' THR . 25.2 t0 -90.81 157.54 17.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.44 0.37 56.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -120.01 -69.12 0.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.665 HG23 ' HG2' ' A' ' 22' ' ' GLU . 5.1 t -90.03 -2.81 58.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.138 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.8 mtt85 44.06 25.71 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.665 ' HG2' HG23 ' A' ' 20' ' ' THR . 13.0 pt-20 -71.0 131.41 43.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.557 ' HA ' HD23 ' A' ' 16' ' ' LEU . 2.7 tppt? -53.34 115.67 2.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.0 mt -99.39 -46.33 5.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.0 t -153.31 150.92 29.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -132.54 108.03 8.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.7 mt -108.27 100.89 10.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.4 p30 -98.26 15.2 25.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -130.38 42.22 3.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.46 HG11 HD11 ' A' ' 72' ' ' LEU . 21.8 t -97.96 150.02 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -88.4 148.57 42.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.595 0.712 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.551 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.7 Cg_endo -69.78 -39.78 6.08 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.339 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -75.44 -6.63 51.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.75 132.09 48.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.0 p -93.57 157.63 16.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.422 ' CG2' ' HE3' ' A' ' 40' ' ' LYS . 27.6 mm -44.57 -41.17 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.1 -47.72 61.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.6 -50.48 69.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.681 ' HA ' HD12 ' A' ' 42' ' ' LEU . 47.4 mm -42.49 -49.05 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.422 ' HE3' ' CG2' ' A' ' 36' ' ' ILE . 1.9 mptm? -53.28 -45.41 68.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -57.79 -53.11 61.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' A' ' 39' ' ' ILE . 17.2 mt -44.83 -48.82 11.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -62.09 -42.58 99.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 45' ' ' LYS . 3.3 m -56.84 -41.87 78.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 44' ' ' THR . 30.8 mtpt -34.9 -66.3 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 40.8 m -62.97 -52.19 63.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.419 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 30.0 m-70 -108.03 93.66 11.35 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.538 0.685 . . . . 0.0 110.836 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 54.0 Cg_endo -69.78 -41.45 4.24 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.718 2.279 . . . . 0.0 112.34 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -49.35 -33.12 12.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 15.2 m0 -84.83 99.06 10.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -77.99 160.38 73.95 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.65 0.738 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -30.33 22.49 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.269 . . . . 0.0 112.348 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.36 -24.21 59.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -100.56 -58.27 1.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -46.04 106.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 t -103.16 137.92 40.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.418 ' C ' ' HG3' ' A' ' 58' ' ' ARG . 82.3 mt -120.54 144.28 48.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.418 ' HG3' ' C ' ' A' ' 57' ' ' LEU . 5.4 mtt-85 -144.91 138.66 27.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.506 ' HG ' HD11 ' A' ' 66' ' ' LEU . 11.3 mt -63.09 -18.2 63.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -154.76 152.96 26.86 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.618 0.723 . . . . 0.0 110.87 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.556 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 54.0 Cg_endo -69.75 -15.47 37.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 0.0 112.346 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -123.72 31.36 5.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -113.69 -122.54 3.84 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.481 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -142.14 179.96 6.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.77 0.319 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.7 p -78.61 139.82 38.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.506 HD11 ' HG ' ' A' ' 59' ' ' LEU . 8.7 mt -82.64 159.13 22.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -128.1 152.47 47.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.945 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -42.87 -49.87 5.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.833 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 68' ' ' ASP . 11.8 pt-20 -36.31 -35.49 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -66.58 144.32 56.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 32' ' ' PRO . 2.8 t -132.65 151.3 34.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.46 HD11 HG11 ' A' ' 30' ' ' VAL . 12.5 mt -62.6 -12.32 22.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -110.92 -12.65 14.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.1 mmtt -99.82 -29.04 12.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.959 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.829 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -60.24 155.34 46.87 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.606 0.717 . . . . 0.0 110.916 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 25.31 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.649 2.233 . . . . 0.0 112.325 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.808 HG11 ' HA ' ' A' ' 81' ' ' ALA . 4.4 t -120.87 170.74 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.637 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -111.57 -161.42 16.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.472 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.9 p -41.31 -41.79 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.921 0.391 . . . . 0.0 111.161 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.3 m -94.08 91.17 6.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.808 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -94.41 150.11 20.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.5 m -127.42 121.45 30.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.16 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 17.8 mt -117.19 135.68 53.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.556 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 96.8 m-85 -101.82 141.4 34.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.554 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.6 OUTLIER -95.72 134.25 38.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.908 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.601 ' CD2' ' O ' ' A' ' 30' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.762 0.315 . . . . 0.0 110.854 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.526 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 6.8 m-85 -59.92 131.11 49.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 18.3 mp0 -97.22 109.95 22.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.542 ' CG2' HG21 ' A' ' 30' ' ' VAL . 46.9 t -117.44 111.62 35.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.142 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -112.22 109.54 19.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 98.1 mt -82.71 98.02 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 23' ' ' LYS . 27.1 mt -94.29 167.52 11.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -84.54 153.09 23.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.79 6.59 43.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -127.71 -56.79 1.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.5 p -95.56 -11.3 27.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 48.21 49.54 17.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -107.06 139.99 40.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.417 ' HA ' HD23 ' A' ' 16' ' ' LEU . 5.5 tppt? -57.72 109.74 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.4 mt -98.24 -37.06 9.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.8 t -152.31 128.51 10.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -116.29 110.97 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.7 mt -111.96 99.8 8.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -89.84 8.89 29.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -133.06 62.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.601 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 7.4 t -106.57 146.31 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.502 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 55.9 mt-10 -83.12 142.42 44.22 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.62 0.724 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.526 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.79 -30.08 22.72 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.667 2.244 . . . . 0.0 112.376 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -87.45 -7.53 57.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.502 ' HB2' ' HB2' ' A' ' 31' ' ' GLU . . . -65.95 126.66 29.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.091 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.495 HG22 HG22 ' A' ' 71' ' ' VAL . 68.9 p -86.81 164.51 16.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.101 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.484 HG22 ' HE3' ' A' ' 40' ' ' LYS . 26.8 mm -48.96 -39.57 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.96 -44.64 70.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -67.99 -44.11 77.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.511 ' HA ' HD12 ' A' ' 42' ' ' LEU . 50.3 mm -47.75 -51.77 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.578 ' CE ' HD12 ' A' ' 57' ' ' LEU . 2.0 mptm? -51.08 -47.36 61.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -54.69 -57.76 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 39' ' ' ILE . 32.2 mt -40.4 -39.76 1.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.565 ' CE1' ' OE1' ' A' ' 55' ' ' GLN . 4.9 t80 -70.96 -52.45 19.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 45' ' ' LYS . 6.8 m -45.67 -40.9 9.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.125 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 44' ' ' THR . 22.8 mtmt -34.99 -67.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.577 HG23 ' CD2' ' A' ' 47' ' ' HIS . 1.1 t -58.49 -47.21 84.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.13 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.577 ' CD2' HG23 ' A' ' 46' ' ' THR . 61.0 m170 -114.48 94.55 36.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.531 0.682 . . . . 0.0 110.833 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.8 Cg_endo -69.78 -27.75 26.0 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 -67.66 -27.0 66.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -87.47 85.66 7.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -64.95 159.91 60.16 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.699 0.761 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -40.24 5.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -45.85 -27.86 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.8 ttt85 -98.51 -55.6 2.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.565 ' OE1' ' CE1' ' A' ' 43' ' ' PHE . 31.5 mt-30 -49.92 94.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 m -90.74 141.15 29.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.737 HD13 HD13 ' A' ' 83' ' ' LEU . 80.7 mt -124.92 141.55 52.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -146.46 161.11 41.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.448 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 4.9 mt -79.19 -6.85 57.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 59' ' ' LEU . 8.4 m-20 -173.39 147.73 1.46 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.568 0.699 . . . . 0.0 110.89 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.582 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.8 Cg_endo -69.73 -3.74 12.59 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.71 2.273 . . . . 0.0 112.372 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -124.8 22.13 8.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -114.96 -142.13 7.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.77 145.36 49.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.733 0.301 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 90.1 p -44.96 141.34 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.427 HD22 ' OD2' ' A' ' 70' ' ' ASP . 10.5 mt -81.32 160.48 24.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -116.46 153.96 31.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.43 -32.67 65.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.831 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -55.46 -21.89 18.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.427 ' OD2' HD22 ' A' ' 66' ' ' LEU . 65.1 m-20 -70.93 156.76 39.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.58 HG23 ' HE3' ' A' ' 74' ' ' LYS . 7.5 t -145.15 156.44 13.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.461 ' HA ' HD23 ' A' ' 72' ' ' LEU . 10.6 mt -68.21 -10.41 54.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -109.86 -11.36 14.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.58 ' HE3' HG23 ' A' ' 71' ' ' VAL . 4.4 mtmp? -107.16 -25.16 11.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.881 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -62.46 154.39 72.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.72 . . . . 0.0 110.904 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 24.98 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.803 HG11 ' HA ' ' A' ' 81' ' ' ALA . 5.1 t -118.33 170.04 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.176 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.607 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -108.15 -167.32 21.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.449 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 78' ' ' GLY . 13.1 p -34.06 -42.47 0.13 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.897 0.38 . . . . 0.0 111.155 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.6 m -96.01 105.48 17.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.803 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -97.12 146.56 24.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 50.3 m -127.04 115.08 18.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.737 HD13 HD13 ' A' ' 57' ' ' LEU . 88.8 mt -108.19 154.99 20.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.582 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 64.5 m-85 -118.56 137.38 53.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 1.5 t80 -94.67 130.08 41.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.905 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.9 m80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.79 0.329 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.561 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -92.87 138.16 31.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -100.43 110.05 22.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.579 HG22 ' HB3' ' A' ' 81' ' ' ALA . 92.1 t -117.82 120.06 63.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -109.15 104.86 14.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.9 mt -78.92 98.34 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 23' ' ' LYS . 17.9 mt -97.77 169.54 9.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -86.98 153.72 21.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.99 6.7 41.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -125.64 -62.3 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.5 p -93.64 -6.28 46.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.8 mtm-85 44.74 47.59 8.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.823 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -100.76 142.29 32.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.458 ' HA ' HD23 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -63.72 111.13 2.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.3 mt -97.72 -33.83 11.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.0 t -160.74 144.56 13.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -127.67 107.78 10.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.3 mt -104.57 96.15 6.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -97.0 20.82 10.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -133.63 34.43 3.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.5 HG11 HD11 ' A' ' 72' ' ' LEU . 15.1 t -93.48 146.13 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -85.06 152.41 58.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.671 0.748 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.561 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 54.2 Cg_endo -69.69 -38.34 8.09 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.714 2.276 . . . . 0.0 112.366 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.1 p-80 -78.45 -8.11 58.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.79 128.55 36.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 36' ' ' ILE . 72.5 p -91.64 148.26 22.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.206 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.645 HG22 ' NZ ' ' A' ' 40' ' ' LYS . 29.5 mm -35.43 -42.14 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.135 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.81 -52.26 19.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -62.95 -34.16 76.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.804 ' HA ' HD12 ' A' ' 42' ' ' LEU . 33.0 mm -55.64 -61.86 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.645 ' NZ ' HG22 ' A' ' 36' ' ' ILE . 4.3 mppt? -44.64 -46.55 10.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -54.56 -54.94 34.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.804 HD12 ' HA ' ' A' ' 39' ' ' ILE . 8.5 mt -46.12 -45.12 16.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 4.7 t80 -66.68 -32.35 73.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 45' ' ' LYS . 18.1 m -67.33 -41.24 85.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 44' ' ' THR . 35.7 mtmt -35.07 -69.15 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.2 m -54.22 -53.45 53.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.435 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 24.8 m-70 -109.51 96.65 23.74 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.594 0.712 . . . . 0.0 110.878 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 54.1 Cg_endo -69.73 -38.97 7.13 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.71 2.274 . . . . 0.0 112.347 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -53.62 -33.29 54.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -83.72 110.5 18.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.515 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -92.17 161.93 31.71 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.72 0.771 . . . . 0.0 110.896 -179.861 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -26.24 27.66 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.424 ' HB3' ' HD2' ' A' ' 51' ' ' TYR . . . -57.99 -14.13 5.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.515 ' HD2' ' CZ ' ' A' ' 51' ' ' TYR . 37.6 mtt180 -106.93 -62.32 1.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' ARG . 70.5 mt-30 -38.15 109.19 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.8 t -102.52 104.08 14.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.518 HD13 HD13 ' A' ' 83' ' ' LEU . 84.0 mt -88.84 141.23 28.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.431 ' HG3' ' C ' ' A' ' 57' ' ' LEU . 4.4 mtt180 -152.77 129.43 10.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.464 ' HG ' HD11 ' A' ' 66' ' ' LEU . 7.8 mt -55.05 -20.02 8.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -148.67 151.36 35.53 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.658 0.742 . . . . 0.0 110.857 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.555 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 54.2 Cg_endo -69.78 -12.2 32.37 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.59 21.67 8.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -102.21 -130.65 7.08 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.503 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -133.94 178.13 7.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.753 0.311 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.9 p -76.16 136.55 39.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.464 HD11 ' HG ' ' A' ' 59' ' ' LEU . 8.4 mt -81.56 159.53 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -122.38 160.54 25.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -53.92 -44.65 70.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -41.42 -31.39 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -66.88 143.31 56.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.0 t -128.25 151.74 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.5 HD11 HG11 ' A' ' 30' ' ' VAL . 12.5 mt -64.07 -10.16 20.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -112.38 -22.12 11.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -90.12 -29.8 18.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.837 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -58.62 155.23 30.66 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.609 0.719 . . . . 0.0 110.947 179.888 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 25.46 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.697 2.264 . . . . 0.0 112.287 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.778 HG11 ' HA ' ' A' ' 81' ' ' ALA . 8.1 t -120.07 169.39 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.591 ' N ' HG12 ' A' ' 77' ' ' VAL . . . -109.25 -167.1 20.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.509 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 78' ' ' GLY . 17.4 p -35.15 -47.92 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 111.13 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.2 m -89.33 95.68 10.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.778 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -95.43 147.75 23.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.058 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.9 m -126.61 130.32 50.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.518 HD13 HD13 ' A' ' 57' ' ' LEU . 63.0 mt -123.46 143.61 50.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.555 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 87.4 m-85 -109.58 133.69 52.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.566 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.6 OUTLIER -99.62 139.81 34.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.5 tpp85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 -179.934 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.3 m80 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.806 0.336 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.541 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 4.3 m-85 -94.11 143.53 26.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -105.49 110.06 22.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.454 HG22 ' HB3' ' A' ' 81' ' ' ALA . 74.2 t -117.08 105.69 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -98.23 102.55 14.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.7 mt -78.02 98.5 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.17 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.495 HD23 ' HA ' ' A' ' 23' ' ' LYS . 10.2 mt -100.07 171.47 7.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.452 ' OD2' HG22 ' A' ' 20' ' ' THR . 19.5 t0 -88.04 157.35 18.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.817 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.434 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . -87.11 -0.52 56.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.079 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -118.56 -75.35 0.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.952 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.707 HG23 ' H ' ' A' ' 22' ' ' GLU . 9.0 t -78.82 -18.77 53.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.198 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.443 ' O ' HD22 ' A' ' 16' ' ' LEU . 12.0 mtm180 60.32 28.97 18.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.707 ' H ' HG23 ' A' ' 20' ' ' THR . 71.2 mt-10 -75.26 139.89 42.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.495 ' HA ' HD23 ' A' ' 16' ' ' LEU . 3.8 tppp? -63.72 107.03 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.8 mt -92.26 -43.24 9.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t -151.42 145.53 25.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -132.89 99.23 4.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.7 mt -97.89 105.02 17.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.97 8.73 43.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -125.96 46.14 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.534 HG11 HD11 ' A' ' 72' ' ' LEU . 60.8 t -102.06 148.35 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -85.36 146.68 45.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.637 0.732 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.541 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.75 -34.84 13.81 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.645 2.23 . . . . 0.0 112.35 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.467 ' HA ' ' NE2' ' A' ' 73' ' ' GLN . 12.7 p-80 -82.3 1.11 38.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.67 131.28 42.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.459 HG22 HG22 ' A' ' 71' ' ' VAL . 73.6 p -89.8 155.1 19.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.191 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.579 HG22 ' HE2' ' A' ' 40' ' ' LYS . 44.0 mm -44.51 -41.07 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.11 -45.63 53.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -65.66 -47.08 76.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.628 ' HA ' HD12 ' A' ' 42' ' ' LEU . 38.4 mm -46.51 -49.68 5.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.579 ' HE2' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -50.98 -47.47 61.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.83 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -54.36 -56.57 17.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.628 HD12 ' HA ' ' A' ' 39' ' ' ILE . 10.7 mt -41.13 -56.97 2.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -54.81 -39.48 68.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.2 m -63.32 -39.42 94.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -37.28 -65.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.6 m -59.1 -60.94 3.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.186 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.438 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 36.8 m80 -102.44 96.9 7.89 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.606 0.717 . . . . 0.0 110.845 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.6 Cg_endo -69.8 -39.06 6.88 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.343 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -51.15 -30.77 17.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.4 ' N ' ' CD1' ' A' ' 50' ' ' TRP . 15.7 m0 -87.28 110.18 20.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.5 OUTLIER -88.47 161.19 43.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.681 0.753 . . . . 0.0 110.904 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -29.35 24.05 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.89 -25.44 65.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.576 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 25.5 ttt180 -93.25 -64.25 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -42.15 110.19 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.2 t -101.73 121.36 41.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.401 HD13 HD13 ' A' ' 83' ' ' LEU . 92.8 mt -105.92 148.42 27.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -156.69 135.85 12.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.754 HD21 HD21 ' A' ' 66' ' ' LEU . 5.7 mt -59.6 -15.6 19.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -158.07 150.63 17.93 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.604 0.716 . . . . 0.0 110.847 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.559 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.5 Cg_endo -69.8 -9.57 26.41 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.333 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -129.42 30.6 4.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -116.05 -122.27 3.43 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -138.17 174.35 10.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.5 t -79.39 141.05 37.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.754 HD21 HD21 ' A' ' 59' ' ' LEU . 7.0 mt -80.98 158.33 25.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -125.39 159.59 31.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -51.79 -38.74 56.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -47.33 -36.53 9.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.72 151.11 47.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.579 HG23 ' HE2' ' A' ' 74' ' ' LYS . 5.8 t -137.96 155.54 30.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.534 HD11 HG11 ' A' ' 30' ' ' VAL . 16.2 mt -67.33 -8.5 32.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.467 ' NE2' ' HA ' ' A' ' 33' ' ' HIS . 18.4 pt20 -113.31 -14.11 12.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.579 ' HE2' HG23 ' A' ' 71' ' ' VAL . 30.2 mtmt -103.45 -25.56 13.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.866 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -59.94 154.84 46.63 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.606 0.717 . . . . 0.0 110.911 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 24.94 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.665 2.244 . . . . 0.0 112.339 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.764 HG11 ' HA ' ' A' ' 81' ' ' ALA . 6.1 t -118.88 169.86 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.597 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -110.54 -166.31 19.22 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 78' ' ' GLY . 6.6 p -36.03 -43.38 0.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 111.164 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 28.3 m -92.48 97.08 10.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.764 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -97.1 145.45 25.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.2 m -130.17 129.33 43.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.401 HD13 HD13 ' A' ' 57' ' ' LEU . 21.0 mt -121.64 138.58 54.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.559 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 90.6 m-85 -101.37 139.28 37.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 1.5 t80 -98.99 129.68 45.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.882 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.9 m80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.873 0.368 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.8 m-85 -91.78 146.59 23.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -106.44 110.05 22.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.473 HG22 ' HB3' ' A' ' 81' ' ' ALA . 95.9 t -119.44 113.03 39.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -106.63 103.26 12.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 92.6 mt -78.19 99.04 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 23' ' ' LYS . 23.0 mt -98.33 169.52 9.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -83.64 157.29 22.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.17 -4.97 58.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.065 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -115.57 -72.65 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.2 p -78.87 -13.87 59.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 49.85 51.44 16.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -105.06 144.89 31.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.475 ' HA ' HD23 ' A' ' 16' ' ' LEU . 3.4 tppp? -60.9 108.39 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.6 mt -96.4 -39.9 9.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t -153.5 137.79 16.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -124.2 108.88 12.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.7 mt -108.73 93.93 4.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -90.41 10.5 24.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -125.88 41.72 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.562 HG11 HD11 ' A' ' 72' ' ' LEU . 24.4 t -96.86 147.43 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -85.44 149.19 51.37 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.665 0.745 . . . . 0.0 110.839 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.567 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.83 -32.21 18.73 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.334 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -82.14 -13.33 57.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.828 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.44 124.7 20.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.5 p -85.85 164.74 17.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.469 ' CG1' ' HB2' ' A' ' 70' ' ' ASP . 42.6 mm -51.02 -42.56 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.04 -47.64 53.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -63.58 -47.91 79.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 40.5 mm -46.16 -47.78 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.104 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.442 ' NZ ' ' O ' ' A' ' 55' ' ' GLN . 16.1 mttm -56.19 -44.82 79.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -54.99 -53.47 55.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 45' ' ' LYS . 15.1 mt -45.19 -64.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.421 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 4.4 t80 -40.34 -34.83 0.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 45' ' ' LYS . 5.7 m -66.24 -41.72 89.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 42' ' ' LEU . 8.0 mtpm? -34.67 -63.72 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.1 m -59.89 -60.37 3.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.441 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 54.6 m-70 -105.52 99.5 21.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.562 0.696 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.6 Cg_endo -69.77 -43.36 2.7 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.734 2.289 . . . . 0.0 112.314 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -48.59 -36.82 16.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 18.0 m0 -80.89 82.13 6.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.62 162.14 5.23 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.661 0.743 . . . . 0.0 110.929 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -21.58 33.04 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.659 2.24 . . . . 0.0 112.338 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.81 -12.01 15.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 56' ' ' SER . 25.5 mtp180 -106.11 -55.44 2.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.442 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . 59.9 mt-30 -37.12 94.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.955 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 54' ' ' ARG . 36.9 m -98.12 106.94 19.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.411 HD13 HD13 ' A' ' 83' ' ' LEU . 39.8 mt -97.69 141.43 30.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -147.86 135.56 20.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.654 ' HG ' HD21 ' A' ' 66' ' ' LEU . 35.1 mt -57.98 -19.61 31.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -155.7 151.55 22.34 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.616 0.722 . . . . 0.0 110.851 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.515 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.8 Cg_endo -69.76 -5.5 16.37 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.325 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -126.35 22.0 7.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -108.17 -144.86 11.34 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.77 148.65 50.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.807 0.337 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.8 p -39.78 143.17 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.654 HD21 ' HG ' ' A' ' 59' ' ' LEU . 8.7 mt -83.13 155.49 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -110.38 146.02 36.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -48.81 -36.59 17.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.834 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -48.4 -32.59 7.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.469 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 4.4 m-20 -62.63 150.86 39.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -137.62 152.24 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.166 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.562 HD11 HG11 ' A' ' 30' ' ' VAL . 16.6 mt -64.67 -12.91 51.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -110.29 -14.22 14.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.0 mmtt -98.78 -28.5 13.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.835 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -59.25 155.46 35.26 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.621 0.724 . . . . 0.0 110.906 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 25.25 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.802 HG11 ' HA ' ' A' ' 81' ' ' ALA . 6.6 t -119.44 168.09 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.569 ' N ' HG12 ' A' ' 77' ' ' VAL . . . -102.8 -149.57 21.66 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.9 p -57.75 -25.57 60.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.857 0.36 . . . . 0.0 111.179 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 55.8 m -104.68 90.31 3.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.802 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -91.73 142.82 27.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.0 m -122.91 124.96 44.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.411 HD13 HD13 ' A' ' 57' ' ' LEU . 18.4 mt -117.91 141.78 48.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.515 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 87.8 m-85 -106.43 132.7 52.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 1.6 t80 -95.84 140.67 30.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.922 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 3' ' ' SER . 43.9 t -101.53 -48.61 4.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.9 0.381 . . . . 0.0 110.848 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 2' ' ' SER . 84.2 p 34.55 42.92 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.37 140.92 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.526 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -154.79 142.88 20.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.927 0.394 . . . . 0.0 110.811 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -88.75 127.2 35.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.822 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.64 121.63 7.02 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -104.94 124.11 48.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.898 0.38 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -95.13 44.04 1.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -79.22 173.35 12.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -90.88 146.38 23.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.432 ' HG2' ' CG ' ' A' ' 28' ' ' ASP . 28.2 mt-10 -107.39 110.6 22.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.583 HG22 ' HB3' ' A' ' 81' ' ' ALA . 87.5 t -119.28 109.45 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 pm0 -100.34 101.5 12.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.9 mt -75.27 100.66 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 23' ' ' LYS . 35.0 mt -99.07 168.93 9.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -84.97 156.91 20.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.72 3.17 55.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.62 -64.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.3 p -89.74 -4.79 57.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 41.19 46.13 2.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -99.42 139.68 34.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.465 ' HA ' HD23 ' A' ' 16' ' ' LEU . 2.5 tppp? -58.32 113.13 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.1 mt -101.11 -40.08 7.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.5 t -153.71 142.89 21.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -126.0 111.53 14.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.8 mt -109.79 92.58 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.432 ' CG ' ' HG2' ' A' ' 12' ' ' GLU . 13.2 t0 -91.8 13.73 17.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -127.98 43.55 3.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.607 HG11 HD11 ' A' ' 72' ' ' LEU . 40.5 t -100.55 145.75 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 9.6 mm-40 -83.22 148.07 55.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.64 0.733 . . . . 0.0 110.854 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.565 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.73 -39.28 6.75 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.698 2.266 . . . . 0.0 112.35 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 -77.4 -8.53 57.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.414 ' HB2' ' HB2' ' A' ' 31' ' ' GLU . . . -64.23 129.59 40.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.474 HG22 HG22 ' A' ' 71' ' ' VAL . 76.5 p -85.41 154.67 21.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.655 HG22 ' NZ ' ' A' ' 40' ' ' LYS . 50.5 mm -41.79 -42.87 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.696 ' HB2' ' HB2' ' A' ' 68' ' ' ASP . . . -49.81 -50.78 43.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -58.59 -42.63 88.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.4 mm -46.44 -50.16 5.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.655 ' NZ ' HG22 ' A' ' 36' ' ' ILE . 1.3 mptt -53.61 -52.37 60.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -45.65 -48.9 14.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.1 mt -51.09 -63.37 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.437 ' CG ' ' OE1' ' A' ' 55' ' ' GLN . 9.3 t80 -44.69 -31.63 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 45' ' ' LYS . 1.8 m -67.6 -41.83 83.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 44' ' ' THR . 66.8 mttm -36.89 -68.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.5 m -56.9 -57.12 13.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -106.08 93.82 8.41 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.614 0.721 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -36.52 10.85 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.699 2.266 . . . . 0.0 112.394 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -54.63 -29.93 53.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 17.0 m0 -87.21 114.54 23.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.52 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -91.52 161.87 33.18 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.659 0.742 . . . . 0.0 110.946 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -30.86 21.49 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.88 -17.58 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.52 ' HD2' ' CZ ' ' A' ' 51' ' ' TYR . 36.4 mtt180 -103.73 -62.13 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.437 ' OE1' ' CG ' ' A' ' 43' ' ' PHE . 57.5 mt-30 -38.14 109.88 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.435 ' HB2' HD21 ' A' ' 88' ' ' LEU . 19.8 t -109.92 110.95 22.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.532 HD13 HD13 ' A' ' 83' ' ' LEU . 61.2 mt -94.57 144.37 25.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.426 ' HG3' ' C ' ' A' ' 57' ' ' LEU . 4.5 mtt-85 -149.27 131.82 15.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.1 mt -55.64 -24.66 34.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -148.7 153.05 38.88 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.606 0.717 . . . . 0.0 110.883 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.531 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.4 Cg_endo -69.79 -8.81 24.54 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.315 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -131.18 28.82 4.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -111.76 -122.12 4.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -138.76 177.26 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.4 p -78.68 135.61 37.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 mt -73.23 159.01 34.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -129.12 143.91 51.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.696 ' HB2' ' HB2' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -37.07 -46.41 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' ASP . 10.4 pt-20 -34.98 -46.45 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -62.09 147.85 46.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.474 HG22 HG22 ' A' ' 35' ' ' THR . 13.1 t -131.62 156.03 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.165 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.607 HD11 HG11 ' A' ' 30' ' ' VAL . 13.3 mt -64.23 -10.63 24.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.414 ' HG2' ' CG1' ' A' ' 71' ' ' VAL . 15.5 pt20 -112.01 -19.44 12.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -93.17 -28.94 15.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.866 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -59.46 154.9 41.08 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.731 . . . . 0.0 110.907 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 24.9 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.652 2.235 . . . . 0.0 112.327 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.832 HG11 ' HA ' ' A' ' 81' ' ' ALA . 3.9 t -119.13 170.88 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.639 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -107.57 -151.18 16.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 34.1 p -51.47 -39.2 57.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.367 . . . . 0.0 111.127 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.4 m -97.46 96.56 8.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.205 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.832 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -94.1 148.7 21.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.076 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.8 m -124.97 124.96 43.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.532 HD13 HD13 ' A' ' 57' ' ' LEU . 26.6 mt -119.47 141.52 49.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.531 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 83.3 m-85 -105.31 132.54 51.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.57 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.6 OUTLIER -97.25 145.83 25.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.431 ' O ' HD22 ' A' ' 88' ' ' LEU . 11.6 tpt180 -135.97 118.42 15.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.08 131.48 47.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 54' ' ' ARG . 4.4 mm? . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.5 t -126.88 111.0 13.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.837 0.351 . . . . 0.0 110.827 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t -71.44 103.93 3.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.92 171.99 13.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 m -60.01 164.95 3.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.848 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.4 p -83.37 98.73 9.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.13 131.81 12.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 88.5 mtp -140.21 117.13 11.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.362 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.98 92.6 3.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -119.59 179.26 4.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.506 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 4.2 m-85 -92.05 139.64 30.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -102.75 110.09 21.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.1 t -117.81 120.68 65.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -113.03 106.31 14.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.7 mt -80.24 100.53 4.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.3 mt -98.16 169.78 9.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -87.3 156.65 19.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.98 3.39 54.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -124.72 -60.06 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.5 p -93.49 -6.97 45.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 43.93 47.68 7.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -102.13 141.93 34.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -64.12 110.32 2.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.3 mt -97.61 -30.94 12.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t -155.0 144.01 20.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.551 ' CE2' ' OD1' ' A' ' 28' ' ' ASP . 28.2 t80 -129.26 108.16 10.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.0 mt -109.91 102.36 11.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.551 ' OD1' ' CE2' ' A' ' 26' ' ' PHE . 7.4 m-20 -99.53 2.11 44.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -118.29 42.63 2.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.2 t -95.38 149.74 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -90.24 147.01 35.91 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.64 0.733 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.506 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.76 -30.91 21.54 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.702 2.268 . . . . 0.0 112.357 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -84.09 -5.66 59.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.0 126.77 30.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.465 HG22 HG22 ' A' ' 71' ' ' VAL . 81.3 p -85.8 157.06 20.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.5 mm -46.03 -42.06 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.07 -45.07 64.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.129 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -65.42 -43.19 91.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.4 mm -51.27 -52.44 19.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.431 ' HE2' HD12 ' A' ' 57' ' ' LEU . 22.8 mttm -51.66 -41.48 61.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 -59.89 -49.51 77.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.5 mt -47.98 -58.18 4.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -49.63 -31.53 11.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 45' ' ' LYS . 2.9 m -66.43 -41.88 88.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 44' ' ' THR . 37.5 mtpt -34.97 -69.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.1 m -58.74 -54.76 43.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.165 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 51.5 m-70 -104.96 91.77 4.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.642 0.734 . . . . 0.0 110.856 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -33.22 17.28 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.717 2.278 . . . . 0.0 112.369 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -57.07 -31.17 64.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -86.3 116.11 24.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.545 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.4 OUTLIER -95.29 159.79 32.09 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.683 0.754 . . . . 0.0 110.918 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -22.56 31.96 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.662 2.241 . . . . 0.0 112.375 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.26 -26.18 61.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.545 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 7.4 ttm180 -95.35 -35.92 11.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -72.45 132.07 43.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.6 t -119.7 125.45 48.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.431 HD12 ' HE2' ' A' ' 40' ' ' LYS . 93.0 mt -110.9 141.22 44.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -149.84 139.52 21.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.751 HD21 HD21 ' A' ' 66' ' ' LEU . 4.0 mt -62.2 -27.28 68.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.87 151.74 60.42 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.605 0.717 . . . . 0.0 110.876 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.502 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.5 Cg_endo -69.74 -15.3 37.1 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.335 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -124.84 22.72 8.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -101.91 -124.79 5.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.3 ptmm? -138.1 175.62 9.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 83.8 p -75.72 133.99 40.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.751 HD21 HD21 ' A' ' 59' ' ' LEU . 7.9 mt -72.26 154.74 40.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 67' ' ' LYS . 1.7 mppt? -117.83 149.64 40.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -48.88 -46.32 42.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -41.59 -35.16 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.45 145.5 55.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.465 HG22 HG22 ' A' ' 35' ' ' THR . 6.6 t -133.76 159.32 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.44 ' N ' HG12 ' A' ' 71' ' ' VAL . 12.2 mt -68.26 -11.21 59.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -113.03 -4.28 13.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.402 ' NZ ' HG21 ' A' ' 71' ' ' VAL . 20.7 mttp -114.05 -25.06 8.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.817 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -60.03 155.42 44.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.55 0.69 . . . . 0.0 110.984 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 25.46 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.676 2.251 . . . . 0.0 112.347 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.755 HG11 ' HA ' ' A' ' 81' ' ' ALA . 6.8 t -120.66 169.78 11.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.186 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.592 ' N ' HG12 ' A' ' 77' ' ' VAL . . . -103.62 -154.47 23.96 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.538 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.9 p -50.8 -45.23 59.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 111.12 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.6 m -91.35 93.89 9.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.755 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -93.72 141.35 28.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.9 m -122.15 128.91 51.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 30.3 mt -120.85 143.89 48.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.502 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 88.3 m-85 -106.01 137.91 43.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.541 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -95.0 142.97 26.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -136.56 128.74 29.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -74.64 128.73 36.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.937 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.2 m -110.59 174.16 5.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 110.849 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.0 p -42.47 119.28 1.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.07 -157.81 16.61 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 m -119.37 147.46 44.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 0.0 110.828 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -124.94 159.62 30.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.801 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.54 118.83 4.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.445 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.8 tpp -91.88 144.46 25.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -88.34 79.73 7.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -77.81 176.75 8.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.546 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 4.4 m-85 -85.59 138.33 32.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -102.98 109.91 21.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.568 HG22 ' HB3' ' A' ' 81' ' ' ALA . 98.7 t -115.35 111.78 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.429 ' OE1' ' NZ ' ' A' ' 23' ' ' LYS . 5.5 pt-20 -104.5 99.57 9.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.7 mt -77.46 106.41 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.9 mt -102.75 172.5 6.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -90.21 157.11 17.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.02 2.81 56.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -121.38 -63.8 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.3 p -92.46 -9.4 41.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.0 mtm180 48.12 50.53 16.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -105.46 137.47 43.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.429 ' NZ ' ' OE1' ' A' ' 14' ' ' GLU . 4.3 tppt? -60.88 106.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.6 mt -94.86 -31.7 13.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t -151.68 132.35 13.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -122.74 106.33 10.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.3 mt -107.35 102.19 11.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 11.7 t0 -99.67 10.8 40.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -125.41 35.29 4.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.536 HG11 HD11 ' A' ' 72' ' ' LEU . 19.6 t -90.35 156.34 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.065 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' N ' HG12 ' A' ' 30' ' ' VAL . 39.0 mt-10 -96.5 149.23 35.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.546 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.74 -43.87 2.43 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.705 2.27 . . . . 0.0 112.373 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -72.43 -4.03 27.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.62 132.42 48.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.1 p -93.45 152.59 18.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.633 HG22 ' HE2' ' A' ' 40' ' ' LYS . 26.0 mm -41.19 -42.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.42 -46.83 56.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -66.01 -44.95 83.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.425 ' HA ' HD12 ' A' ' 42' ' ' LEU . 31.0 mm -50.22 -41.75 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.633 ' HE2' HG22 ' A' ' 36' ' ' ILE . 24.8 mttm -62.67 -41.68 99.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -57.01 -41.78 79.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.773 HD23 ' HE3' ' A' ' 45' ' ' LYS . 9.5 mt -57.78 -60.86 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.522 ' CE1' ' OE1' ' A' ' 55' ' ' GLN . 8.2 t80 -46.64 -35.01 5.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 45' ' ' LYS . 3.0 m -65.18 -44.47 88.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.773 ' HE3' HD23 ' A' ' 42' ' ' LEU . 7.9 mtmp? -34.45 -68.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.541 HG22 ' CD2' ' A' ' 47' ' ' HIS . 31.5 m -59.39 -55.34 35.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.541 ' CD2' HG22 ' A' ' 46' ' ' THR . 6.1 m170 -105.5 90.67 4.23 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.566 0.698 . . . . 0.0 110.891 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -31.25 21.3 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.678 2.252 . . . . 0.0 112.398 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -60.24 -30.55 69.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 16.3 m0 -87.17 97.48 10.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.488 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.9 OUTLIER -77.53 160.58 74.65 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.657 0.741 . . . . 0.0 110.94 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -24.85 28.97 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.36 -15.63 63.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.488 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 17.0 ttt85 -105.77 -50.67 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.522 ' OE1' ' CE1' ' A' ' 43' ' ' PHE . 32.3 mt-30 -53.97 121.52 8.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.0 t -111.49 115.48 29.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.464 HD12 ' HE2' ' A' ' 40' ' ' LYS . 65.8 mt -99.27 143.15 29.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -151.98 135.63 16.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.415 HD21 HD21 ' A' ' 66' ' ' LEU . 11.5 mt -56.31 -27.68 56.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -144.11 155.88 58.3 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.618 0.723 . . . . 0.0 110.831 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.485 ' HD3' ' CE1' ' A' ' 84' ' ' TYR . 53.4 Cg_endo -69.81 -6.49 18.76 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.71 2.273 . . . . 0.0 112.327 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.454 ' C ' ' HE3' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -129.9 16.83 5.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -97.31 -121.26 4.16 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -148.0 175.9 10.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.75 0.31 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.9 t -72.74 137.31 45.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.415 HD21 HD21 ' A' ' 59' ' ' LEU . 5.7 mt -79.83 154.11 28.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -116.37 152.43 33.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.18 -40.55 16.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 70' ' ' ASP . 9.1 pt-20 -44.16 -39.14 4.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.4 ' N ' ' HG3' ' A' ' 69' ' ' GLU . 36.3 m-20 -62.98 148.32 47.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.0 t -134.62 155.26 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.536 HD11 HG11 ' A' ' 30' ' ' VAL . 12.3 mt -65.99 -8.8 24.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -113.56 -18.39 11.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -96.34 -27.42 14.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.855 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -58.71 155.1 32.23 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.704 . . . . 0.0 110.948 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 25.02 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.318 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.841 HG11 ' HA ' ' A' ' 81' ' ' ALA . 5.3 t -119.23 170.11 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.607 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -110.13 -165.31 19.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.536 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 78' ' ' GLY . 13.8 p -36.28 -43.19 0.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 111.138 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 89.3 m -94.36 97.95 10.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.841 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -94.86 145.27 25.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.069 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.8 m -128.0 123.32 34.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 46.6 mt -118.8 152.91 35.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.485 ' CE1' ' HD3' ' A' ' 61' ' ' PRO . 92.6 m-85 -115.46 132.33 56.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.508 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.6 OUTLIER -94.96 141.01 29.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.1 tpp85 -137.06 131.31 32.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.441 ' OD2' ' NH2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -74.14 133.56 42.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.85 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.421 HD12 ' C ' ' A' ' 87' ' ' ASP . 11.2 mp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -132.49 170.34 15.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.884 0.373 . . . . 0.0 110.868 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 m -116.09 92.61 3.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.11 -82.93 1.27 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.468 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 t -68.68 114.14 6.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.885 0.374 . . . . 0.0 110.826 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -106.16 170.16 8.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.81 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.98 116.31 0.91 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.2 tpt -88.24 43.52 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.83 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? 59.02 47.07 12.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.1 m80 -101.16 179.96 4.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.83 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.537 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 4.3 m-85 -91.67 144.22 25.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -106.52 111.07 23.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.571 HG22 ' HB3' ' A' ' 81' ' ' ALA . 88.5 t -118.34 113.05 40.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -107.05 103.54 12.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 95.0 mt -79.15 101.25 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.569 HD23 ' HA ' ' A' ' 23' ' ' LYS . 15.9 mt -101.69 171.13 7.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -85.74 155.75 20.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.51 4.42 52.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.068 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -123.03 -65.01 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.7 p -90.73 -8.0 50.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 46.87 51.32 12.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -101.83 138.28 39.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.569 ' HA ' HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -58.29 105.87 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.3 mt -92.9 -38.39 11.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.405 ' HB2' ' CE2' ' A' ' 43' ' ' PHE . 1.8 t -153.64 148.87 26.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -135.78 105.92 6.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.0 mt -106.1 100.23 9.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 16.3 t0 -96.84 16.51 19.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -135.02 42.52 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.0 t -97.38 152.62 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -89.0 148.1 40.29 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.639 0.733 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.537 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.8 Cg_endo -69.74 -31.51 20.47 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.701 2.268 . . . . 0.0 112.327 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -82.4 -15.65 51.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.9 127.58 32.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.515 HG22 HG22 ' A' ' 71' ' ' VAL . 72.7 p -87.73 162.49 17.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.736 HG22 ' HE3' ' A' ' 40' ' ' LYS . 41.3 mm -49.31 -43.24 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.41 ' HB2' ' HB3' ' A' ' 68' ' ' ASP . . . -49.38 -48.69 46.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.19 -45.16 89.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 27.2 mm -48.72 -37.36 8.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.736 ' HE3' HG22 ' A' ' 36' ' ' ILE . 37.0 mttt -66.81 -41.89 86.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -56.77 -43.69 81.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.3 mt -55.79 -68.78 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.405 ' CE2' ' HB2' ' A' ' 25' ' ' CYS . 10.0 t80 -38.86 -47.51 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 45' ' ' LYS . 1.2 m -45.59 -45.72 13.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 44' ' ' THR . 5.8 mtpm? -35.67 -66.68 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.0 m -56.95 -50.52 72.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -112.8 97.77 42.59 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.585 0.707 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -36.41 10.89 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.639 2.226 . . . . 0.0 112.389 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -59.66 -31.41 69.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 13.7 m0 -81.59 93.43 6.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -75.19 160.21 80.7 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.641 0.734 . . . . 0.0 110.947 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -28.43 25.33 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.725 2.283 . . . . 0.0 112.368 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.14 -26.82 65.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -100.78 -45.62 5.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -48.81 98.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 t -98.8 131.59 44.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.433 ' C ' ' HG3' ' A' ' 58' ' ' ARG . 29.4 mt -117.41 144.38 45.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.433 ' HG3' ' C ' ' A' ' 57' ' ' LEU . 14.3 mtt-85 -148.2 135.56 20.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.44 ' HG ' HD21 ' A' ' 66' ' ' LEU . 15.6 mt -59.23 -22.13 60.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -151.31 153.3 32.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.595 0.712 . . . . 0.0 110.882 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.489 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.9 Cg_endo -69.75 -10.44 28.57 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -128.62 24.44 5.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -101.66 -123.37 5.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.511 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.404 ' C ' ' NH1' ' A' ' 58' ' ' ARG . 31.5 pttt -136.27 -176.23 4.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.785 0.326 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.8 p -83.73 125.07 31.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.44 HD21 ' HG ' ' A' ' 59' ' ' LEU . 9.7 mt -68.59 162.37 26.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -139.0 151.54 46.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 69' ' ' GLU . 13.7 p-10 -43.15 -49.46 6.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 68' ' ' ASP . 13.8 pt-20 -35.47 -37.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -65.67 148.75 51.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.515 HG22 HG22 ' A' ' 35' ' ' THR . 15.2 t -135.81 150.42 28.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.8 mt -60.8 -9.49 4.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -112.0 -20.35 12.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -90.39 -30.64 17.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.873 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -60.55 154.79 53.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.646 0.736 . . . . 0.0 110.887 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 25.0 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.667 2.245 . . . . 0.0 112.291 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.743 HG11 ' HA ' ' A' ' 81' ' ' ALA . 8.1 t -118.34 169.22 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.592 ' N ' HG12 ' A' ' 77' ' ' VAL . . . -107.77 -153.97 18.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.8 p -48.77 -43.41 37.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.905 0.383 . . . . 0.0 111.127 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.2 m -89.61 89.21 7.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.743 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -89.35 147.52 24.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.083 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 34.1 m -129.59 126.23 38.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.8 mt -120.79 150.11 41.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.489 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 86.2 m-85 -113.23 133.96 54.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.553 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 1.3 t80 -96.6 141.19 30.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.5 tpp85 -133.11 122.25 23.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.4 119.45 11.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 17.8 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.935 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.4 m -76.58 159.85 29.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.875 0.369 . . . . 0.0 110.864 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.5 p -48.39 171.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.8 -165.14 35.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.538 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 m -91.4 -58.47 2.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.89 0.376 . . . . 0.0 110.855 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 m -138.79 177.41 7.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.97 -111.04 0.48 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.4 tpp -68.12 110.58 4.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -125.17 94.91 4.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -114.01 177.84 4.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.549 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.5 m-85 -89.11 137.99 31.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -100.16 109.98 22.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.492 HG22 ' HB3' ' A' ' 81' ' ' ALA . 90.3 t -116.86 114.25 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.421 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 11.3 pt-20 -104.12 100.5 10.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.9 mt -76.33 98.24 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.545 HD23 ' HA ' ' A' ' 23' ' ' LYS . 93.1 mt -98.73 172.12 7.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.411 ' HB3' ' N ' ' A' ' 21' ' ' ARG . 35.1 t70 -90.83 157.56 17.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.27 -11.54 43.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -107.13 -75.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.4 p -82.2 -10.8 59.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.411 ' N ' ' HB3' ' A' ' 17' ' ' ASP . 18.0 mtm-85 46.06 51.44 10.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -102.28 132.73 48.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.545 ' HA ' HD23 ' A' ' 16' ' ' LEU . 1.0 OUTLIER -49.55 107.79 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.1 mt -96.42 -39.84 9.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -158.57 140.81 14.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.421 ' CE2' ' HB3' ' A' ' 14' ' ' GLU . 14.3 t80 -128.13 105.93 8.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.409 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 17.0 mt -99.14 95.18 6.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -91.87 16.26 11.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -133.08 41.0 3.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.499 HG11 HD11 ' A' ' 72' ' ' LEU . 32.6 t -98.95 149.82 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -87.23 151.47 51.36 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.741 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.549 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 52.9 Cg_endo -69.82 -40.07 5.66 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.634 2.222 . . . . 0.0 112.326 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 -73.24 -20.16 60.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.92 126.79 17.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.0 p -87.85 162.64 16.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.739 HG22 ' HE3' ' A' ' 40' ' ' LYS . 42.7 mm -49.24 -43.55 16.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.09 -48.85 33.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -62.82 -47.5 83.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 51.4 mm -45.91 -47.42 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.116 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.739 ' HE3' HG22 ' A' ' 36' ' ' ILE . 36.7 mttt -57.6 -45.5 85.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -55.08 -52.54 62.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.9 mt -45.77 -63.6 0.93 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -45.24 -40.91 7.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 45' ' ' LYS . 4.2 m -62.13 -42.91 99.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 44' ' ' THR . 39.0 mtpt -34.19 -63.99 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.2 m -61.86 -57.36 12.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.194 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 30.7 m-70 -103.92 97.95 12.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.574 0.702 . . . . 0.0 110.872 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.4 Cg_endo -69.81 -43.72 2.46 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.609 2.206 . . . . 0.0 112.328 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -47.1 -34.8 6.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -82.6 94.65 7.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.467 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 1.0 OUTLIER -73.66 160.21 82.68 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.629 0.728 . . . . 0.0 110.948 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -25.03 28.93 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.25 . . . . 0.0 112.328 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.52 -18.67 65.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.09 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.467 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 9.5 ttt180 -100.96 -50.9 3.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -53.56 117.36 3.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.8 t -113.77 119.26 36.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 83' ' ' LEU . 75.6 mt -104.0 138.27 40.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.8 mtt-85 -142.92 135.4 27.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.612 HD21 HD21 ' A' ' 66' ' ' LEU . 5.8 mt -59.11 -20.82 56.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -153.15 153.74 29.96 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.587 0.708 . . . . 0.0 110.841 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.551 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.5 Cg_endo -69.79 -14.66 36.3 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.713 2.275 . . . . 0.0 112.305 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -124.6 32.89 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -113.43 -122.06 3.82 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -147.82 168.57 21.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.756 0.312 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 55.5 p -64.28 141.51 58.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.612 HD21 HD21 ' A' ' 59' ' ' LEU . 7.3 mt -81.57 155.45 25.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 7.0 mptt -115.56 144.83 43.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.14 -43.73 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -44.14 -37.52 3.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.435 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 5.8 m-20 -56.5 150.79 14.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.4 t -139.04 151.54 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.499 HD11 HG11 ' A' ' 30' ' ' VAL . 13.8 mt -62.68 -10.76 13.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -111.4 -18.03 12.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -94.25 -29.39 15.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.847 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -58.95 155.4 32.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.58 0.705 . . . . 0.0 110.915 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 25.02 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.694 2.263 . . . . 0.0 112.327 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.778 HG11 ' HA ' ' A' ' 81' ' ' ALA . 5.1 t -119.52 170.15 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.62 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -107.86 -153.41 17.72 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.522 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.5 p -48.19 -43.82 32.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 111.119 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 62.4 m -92.15 94.28 9.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.778 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -93.08 147.86 22.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 73.8 m -126.55 127.76 45.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 57' ' ' LEU . 33.9 mt -120.91 142.19 49.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.551 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 83.7 m-85 -107.05 134.69 49.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.433 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 2.9 t80 -94.85 140.66 29.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.481 ' O ' ' CD2' ' A' ' 88' ' ' LEU . 11.0 tpp180 -129.95 122.68 29.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -73.58 122.05 21.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.81 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 86' ' ' ARG . 3.7 mm? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -96.46 -48.26 5.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.936 0.398 . . . . 0.0 110.937 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.4 m 53.21 42.28 32.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.65 59.07 0.69 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -48.48 -57.18 6.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.6 p -66.22 -42.88 88.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.897 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.96 -135.51 12.79 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.447 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 mpt? 57.03 36.38 27.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 pttt -69.95 80.83 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -77.45 173.68 11.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.553 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -91.79 144.37 25.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -109.16 109.91 21.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.426 HG22 ' HB3' ' A' ' 81' ' ' ALA . 79.1 t -114.08 104.92 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -92.72 100.13 12.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.6 mt -77.13 98.17 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.123 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.9 mt -100.47 168.93 9.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -88.64 157.96 18.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.9 -10.23 45.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.18 -75.31 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.3 p -79.32 -14.27 59.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.133 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 51.69 50.74 18.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -103.03 144.63 31.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 105.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 mt -94.89 -37.09 11.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.3 t -149.6 139.56 21.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -129.03 106.1 8.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.3 mt -105.3 108.13 19.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -104.69 15.51 27.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -134.1 42.44 2.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.498 HG11 HD11 ' A' ' 72' ' ' LEU . 14.8 t -96.23 154.09 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -90.39 147.55 36.94 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.569 0.7 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.553 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 54.4 Cg_endo -69.77 -27.33 26.57 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.365 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -90.0 2.19 55.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.96 126.08 28.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 82.3 p -87.32 160.27 18.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.574 HG22 ' HE3' ' A' ' 40' ' ' LYS . 27.8 mm -48.98 -38.33 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.02 -45.42 64.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -69.82 -46.83 64.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.508 ' HA ' HD12 ' A' ' 42' ' ' LEU . 37.9 mm -46.6 -40.8 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.574 ' HE3' HG22 ' A' ' 36' ' ' ILE . 27.9 mttt -64.13 -43.42 95.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -57.0 -48.83 77.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 39' ' ' ILE . 19.9 mt -50.73 -55.73 15.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 5.2 t80 -54.06 -34.07 59.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 50' ' ' TRP . 20.9 m -67.66 -35.9 79.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -40.23 -68.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.4 m -55.58 -51.8 65.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -105.79 92.44 6.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -29.54 23.63 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.76 2.306 . . . . 0.0 112.291 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -63.47 -28.34 69.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.942 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.411 ' O ' HG23 ' A' ' 44' ' ' THR . 17.0 m0 -89.3 111.48 22.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.456 ' HD2' ' HB3' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -88.14 161.67 42.78 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.705 0.764 . . . . 0.0 110.951 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -19.35 36.43 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.718 2.279 . . . . 0.0 112.334 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.456 ' HB3' ' HD2' ' A' ' 51' ' ' TYR . . . -68.12 -2.17 7.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.443 ' HD2' ' CZ ' ' A' ' 51' ' ' TYR . 35.1 mtt180 -119.21 -54.69 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.401 ' OE1' ' CD1' ' A' ' 43' ' ' PHE . 53.4 mt-30 -45.2 109.91 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.0 m -109.04 109.38 20.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.828 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.727 HD13 HD13 ' A' ' 83' ' ' LEU . 97.1 mt -92.21 141.72 28.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.406 ' HG3' ' C ' ' A' ' 57' ' ' LEU . 3.5 mtt-85 -148.47 131.51 16.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.3 mt -54.76 -19.71 6.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -153.35 153.9 29.93 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.641 0.734 . . . . 0.0 110.851 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.482 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.78 -5.94 17.43 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.338 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -129.79 16.43 5.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -96.59 -128.76 5.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -135.44 175.9 9.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.7 p -75.98 129.36 36.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.2 mt -73.73 161.23 30.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -129.78 155.24 46.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -46.42 -42.52 15.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -39.98 -37.82 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.429 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 44.0 m-20 -63.03 156.89 23.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.6 t -141.76 151.86 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.498 HD11 HG11 ' A' ' 30' ' ' VAL . 12.7 mt -66.41 -12.94 59.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -110.68 -16.22 13.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm -97.43 -27.93 14.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.869 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -59.18 154.94 37.86 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.563 0.697 . . . . 0.0 110.931 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 24.75 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.821 HG11 ' HA ' ' A' ' 81' ' ' ALA . 4.6 t -118.63 170.31 8.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.138 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.621 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -112.72 -165.43 16.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 78' ' ' GLY . 19.9 p -34.51 -43.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 111.105 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.9 m -93.81 98.03 10.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.821 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -98.15 146.7 25.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.5 m -128.89 122.03 29.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.727 HD13 HD13 ' A' ' 57' ' ' LEU . 27.4 mt -115.76 145.5 42.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.482 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 82.6 m-85 -109.02 132.47 54.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -95.49 137.5 34.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -124.33 128.42 49.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -60.62 104.73 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.2 tp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -132.63 122.75 25.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.922 0.391 . . . . 0.0 110.827 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.3 m -142.3 155.72 45.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.55 59.58 0.55 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -79.26 90.56 4.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 0.0 110.884 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t -74.93 145.74 42.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.65 -76.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.503 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.417 ' HG2' ' CE1' ' A' ' 10' ' ' HIS . 56.8 tpp -134.22 118.27 17.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -90.08 84.31 6.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.417 ' CE1' ' HG2' ' A' ' 8' ' ' MET . 15.6 m80 -68.7 173.1 5.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.861 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.6 m-85 -87.89 146.33 25.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.953 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.411 ' HG2' ' CG ' ' A' ' 28' ' ' ASP . 24.3 mt-10 -107.1 109.83 21.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.495 HG22 ' HB3' ' A' ' 81' ' ' ALA . 89.0 t -116.76 112.08 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.107 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -102.91 101.37 11.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.4 mt -77.33 99.63 2.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.568 HD23 ' HA ' ' A' ' 23' ' ' LYS . 65.3 mt -99.36 169.62 9.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -86.58 156.51 20.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.24 -0.16 57.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -121.08 -63.88 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.9 p -87.88 -8.71 55.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.5 mtm180 44.31 46.35 7.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -101.77 144.29 30.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.568 ' HA ' HD23 ' A' ' 16' ' ' LEU . 4.8 tppt? -61.7 108.67 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.8 mt -95.49 -38.3 10.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.1 t -155.43 147.3 23.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -132.34 102.32 5.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.8 mt -102.14 95.37 6.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.411 ' CG ' ' HG2' ' A' ' 12' ' ' GLU . 19.9 t0 -92.03 11.24 25.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.48 40.71 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.591 HG11 HD11 ' A' ' 72' ' ' LEU . 27.9 t -95.9 148.92 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -86.68 146.61 41.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.665 0.745 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 54.1 Cg_endo -69.73 -36.52 10.73 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.356 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -75.51 -23.61 56.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.55 133.79 41.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.8 p -89.92 171.83 9.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.635 HG22 ' HE3' ' A' ' 40' ' ' LYS . 37.2 mm -55.71 -44.72 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.8 -47.9 30.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -62.0 -46.15 90.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.587 ' HA ' HD12 ' A' ' 42' ' ' LEU . 31.6 mm -46.02 -47.68 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.635 ' HE3' HG22 ' A' ' 36' ' ' ILE . 0.8 OUTLIER -52.94 -51.37 61.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.843 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -50.91 -55.55 16.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.587 HD12 ' HA ' ' A' ' 39' ' ' ILE . 12.4 mt -41.56 -47.16 3.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.557 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 4.7 t80 -67.69 -39.79 84.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 m -57.85 -39.33 77.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.167 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -38.05 -62.49 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.7 m -62.69 -58.89 5.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.183 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.425 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 37.2 m80 -101.36 98.84 9.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.59 0.709 . . . . 0.0 110.882 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.6 Cg_endo -69.76 -46.18 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 2.241 . . . . 0.0 112.332 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -46.59 -30.74 2.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 16.7 m0 -85.47 113.22 21.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -91.0 161.55 35.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.729 0.776 . . . . 0.0 110.895 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -9.79 26.98 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.541 ' HB3' ' HD2' ' A' ' 51' ' ' TYR . . . -81.04 -30.57 34.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.109 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.718 ' O ' HD23 ' A' ' 88' ' ' LEU . 8.1 ttt180 -91.21 -49.39 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.557 ' OE1' ' CD1' ' A' ' 43' ' ' PHE . 38.5 mt-30 -52.7 93.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.445 ' HB2' HD21 ' A' ' 88' ' ' LEU . 2.6 t -86.9 134.67 33.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.468 HD13 HD13 ' A' ' 83' ' ' LEU . 83.6 mt -125.31 137.64 54.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.9 mtt180 -146.42 145.22 30.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.561 HD21 HD21 ' A' ' 66' ' ' LEU . 4.3 mt -65.1 -16.74 63.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -156.76 151.33 20.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.565 0.698 . . . . 0.0 110.858 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.487 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 54.6 Cg_endo -69.67 -11.19 30.43 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.704 2.269 . . . . 0.0 112.382 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -125.98 23.85 7.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -102.66 -121.2 4.87 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -141.84 178.63 7.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.767 0.318 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.8 p -78.65 120.67 23.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.561 HD21 HD21 ' A' ' 59' ' ' LEU . 7.0 mt -61.63 159.0 14.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.908 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -125.94 149.07 49.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.48 -44.8 36.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -43.1 -25.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -73.74 144.95 45.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.6 t -129.0 155.64 41.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.591 HD11 HG11 ' A' ' 30' ' ' VAL . 13.4 mt -65.34 -9.12 21.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.943 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -112.62 -24.12 9.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -88.69 -29.65 19.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.849 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -58.15 155.19 26.69 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.617 0.723 . . . . 0.0 110.912 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 25.08 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.82 HG11 ' HA ' ' A' ' 81' ' ' ALA . 4.9 t -120.1 170.37 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.093 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.623 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -110.92 -162.97 18.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.6 p -40.64 -39.24 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.369 . . . . 0.0 111.121 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 37.8 m -95.48 91.92 6.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.82 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -93.57 147.99 22.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.038 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.3 m -129.01 128.2 43.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.468 HD13 HD13 ' A' ' 57' ' ' LEU . 22.8 mt -121.25 137.29 54.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.487 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 81.4 m-85 -100.85 138.95 37.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.57 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.7 OUTLIER -95.29 139.86 31.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -131.02 130.55 43.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.17 123.03 27.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 54' ' ' ARG . 4.6 mm? . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 p -38.53 -44.53 0.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 0.0 110.855 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.7 t -108.34 89.63 3.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.63 -119.21 3.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.507 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.7 p -101.44 131.61 47.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.902 0.382 . . . . 0.0 110.824 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -166.15 151.93 8.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.0 90.01 0.1 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.498 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.0 ptt? -116.38 138.58 51.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 110.837 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -118.52 86.21 2.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -119.32 -176.94 3.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -99.74 137.61 37.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -100.62 109.96 22.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.505 HG22 ' HB3' ' A' ' 81' ' ' ALA . 85.2 t -116.91 121.25 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -110.6 99.98 8.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.7 mt -76.89 101.02 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.165 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mt -100.04 170.4 8.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -86.82 156.92 19.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.81 -1.14 57.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.434 ' HE2' ' C ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -117.6 -70.01 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.9 p -87.83 -5.3 58.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 mtt85 42.67 49.55 4.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -100.38 131.22 46.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -51.02 105.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.2 mt -93.48 -35.24 13.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -157.58 144.92 18.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -132.05 105.15 7.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.418 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 27.7 mt -101.58 97.53 7.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -93.91 11.57 29.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -129.17 47.38 2.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.421 HG11 HD11 ' A' ' 72' ' ' LEU . 20.4 t -105.4 145.06 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -83.66 151.03 60.86 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.655 0.74 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.555 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.8 Cg_endo -69.79 -44.82 1.84 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.354 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -70.02 -9.22 54.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.59 129.05 39.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.4 HG22 HG22 ' A' ' 71' ' ' VAL . 69.8 p -92.23 159.7 15.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.541 HG22 ' HE2' ' A' ' 40' ' ' LYS . 42.5 mm -46.18 -41.9 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.14 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.3 -48.91 45.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.054 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -63.0 -52.64 62.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.689 ' HA ' HD12 ' A' ' 42' ' ' LEU . 23.3 mm -38.35 -46.53 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.541 ' HE2' HG22 ' A' ' 36' ' ' ILE . 3.4 mptp? -55.4 -53.54 54.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -47.14 -46.89 23.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 39' ' ' ILE . 15.2 mt -52.4 -64.07 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.96 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.518 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 4.1 t80 -48.17 -34.94 10.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 m -66.87 -45.56 77.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.106 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -36.95 -63.41 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.87 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.7 m -59.37 -60.53 3.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.154 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -103.29 102.38 28.53 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.62 0.724 . . . . 0.0 110.861 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -44.95 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.714 2.276 . . . . 0.0 112.348 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -48.25 -37.67 16.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 13.8 m0 -78.72 103.53 8.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.477 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.6 OUTLIER -85.38 160.87 53.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.72 0.771 . . . . 0.0 110.913 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -26.26 27.68 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.25 -30.0 71.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.477 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 9.5 ttt85 -92.6 -59.58 2.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.518 ' OE1' ' CD1' ' A' ' 43' ' ' PHE . 32.6 mt-30 -45.17 115.08 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.5 t -110.46 140.36 44.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.502 HD13 HD13 ' A' ' 83' ' ' LEU . 97.3 mt -124.2 138.84 54.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.424 ' HG3' ' C ' ' A' ' 57' ' ' LEU . 8.6 mtt-85 -144.65 137.13 26.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.562 ' CD2' HD11 ' A' ' 66' ' ' LEU . 11.7 mt -59.41 -22.93 62.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -152.03 153.76 31.74 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.627 0.727 . . . . 0.0 110.835 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.572 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.5 Cg_endo -69.82 -13.14 34.12 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.251 . . . . 0.0 112.368 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -126.36 32.73 5.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -114.87 -124.86 3.94 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -137.24 179.97 6.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.2 p -85.1 131.41 34.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.562 HD11 ' CD2' ' A' ' 59' ' ' LEU . 8.2 mt -72.56 162.6 29.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -129.79 160.86 32.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.38 -47.03 37.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -41.35 -37.85 1.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -63.41 143.05 58.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.4 HG22 HG22 ' A' ' 35' ' ' THR . 3.0 t -131.96 156.0 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.421 HD11 HG11 ' A' ' 30' ' ' VAL . 13.3 mt -66.03 -13.97 60.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -110.16 -14.2 14.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -99.06 -28.26 13.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.828 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -59.34 155.55 35.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.548 0.689 . . . . 0.0 110.967 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 25.28 0.17 Allowed 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.701 2.267 . . . . 0.0 112.389 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.777 HG11 ' HA ' ' A' ' 81' ' ' ALA . 6.7 t -120.07 169.55 11.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.591 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -109.86 -164.62 19.65 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.522 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 78' ' ' GLY . 17.7 p -35.87 -46.56 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 111.163 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 60.2 m -90.93 97.87 11.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.777 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -97.94 139.97 32.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.0 m -119.02 125.6 49.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.154 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.502 HD13 HD13 ' A' ' 57' ' ' LEU . 18.5 mt -121.05 134.37 55.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.572 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 93.0 m-85 -98.41 142.31 30.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.625 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.1 OUTLIER -99.33 142.38 30.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.476 ' HG3' HD12 ' A' ' 88' ' ' LEU . 15.0 tpt180 -132.41 126.02 32.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.951 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -71.0 121.9 19.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.476 HD12 ' HG3' ' A' ' 86' ' ' ARG . 10.0 mp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 m -89.89 172.57 8.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.894 0.378 . . . . 0.0 110.832 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -130.61 -60.45 0.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.2 -126.75 1.16 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.51 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.2 p -118.87 81.89 1.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.842 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -145.54 113.56 6.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.06 57.16 0.56 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.2 ttt -112.8 113.78 26.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.852 0.358 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -161.72 116.52 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -108.29 -179.77 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.571 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -92.3 142.34 27.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -103.13 109.9 21.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.2 t -117.67 114.92 46.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -106.05 99.62 9.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.4 mt -76.08 98.03 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.612 HD21 ' HD3' ' A' ' 23' ' ' LYS . 80.9 mt -99.43 171.24 8.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -89.64 156.04 18.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.74 -0.79 57.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.1 tptt -120.29 -72.93 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.9 p -80.28 -11.66 59.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 48.46 30.81 2.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -83.41 132.6 34.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.612 ' HD3' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -51.62 118.87 3.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.3 mt -103.32 -40.44 6.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.4 t -158.6 146.75 18.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -130.23 102.93 6.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.1 mt -101.28 99.63 10.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -95.2 8.55 42.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.1 mttt -122.83 37.21 4.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.599 HG11 HD11 ' A' ' 72' ' ' LEU . 16.5 t -91.51 146.37 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.134 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -84.39 146.32 47.28 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.625 0.726 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.571 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.7 Cg_endo -69.82 -31.69 19.77 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.324 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -83.22 -13.26 55.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.02 131.07 49.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.4 p -89.63 160.05 16.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.728 HG22 ' HE2' ' A' ' 40' ' ' LYS . 47.0 mm -48.32 -42.22 11.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.91 -46.57 52.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.53 -46.29 83.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.49 ' HA ' HD12 ' A' ' 42' ' ' LEU . 36.9 mm -43.41 -46.77 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.728 ' HE2' HG22 ' A' ' 36' ' ' ILE . 3.1 mptp? -54.06 -52.53 60.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -48.61 -52.78 21.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 39' ' ' ILE . 19.8 mt -44.57 -57.79 3.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -55.9 -48.19 76.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 45' ' ' LYS . 3.2 m -49.71 -41.57 43.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.171 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 44' ' ' THR . 38.2 mtmt -36.54 -66.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.4 m -58.11 -56.2 25.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.436 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 61.2 m-70 -106.55 98.68 21.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.569 0.7 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.8 Cg_endo -69.74 -41.79 3.99 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -50.91 -33.42 24.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 15.5 m0 -81.84 95.23 7.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.516 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 1.0 OUTLIER -74.44 160.3 81.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.662 0.744 . . . . 0.0 110.944 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -14.67 36.63 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.705 2.27 . . . . 0.0 112.347 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.94 -20.73 55.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.638 ' O ' HD23 ' A' ' 88' ' ' LEU . 24.4 ttt180 -102.16 -41.05 6.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -66.69 99.81 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.418 ' HB2' HD21 ' A' ' 88' ' ' LEU . 24.8 t -96.7 147.43 23.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.715 HD13 HD13 ' A' ' 83' ' ' LEU . 96.8 mt -127.9 140.4 52.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 -144.95 138.46 26.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.502 HD21 HD21 ' A' ' 66' ' ' LEU . 7.4 mt -60.78 -24.54 65.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -147.77 150.94 37.65 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.614 0.721 . . . . 0.0 110.896 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.541 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.74 -11.45 30.89 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.729 2.286 . . . . 0.0 112.314 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.06 21.43 7.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -106.37 -138.16 8.98 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.503 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.1 mmmt -118.42 178.97 4.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.829 0.347 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.6 p -85.15 139.36 31.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.502 HD21 HD21 ' A' ' 59' ' ' LEU . 5.8 mt -79.6 162.6 25.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -131.22 153.24 49.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -44.78 -46.61 10.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -41.18 -37.56 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.401 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 1.6 m-20 -63.59 145.9 54.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.4 t -131.72 151.97 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.599 HD11 HG11 ' A' ' 30' ' ' VAL . 15.1 mt -61.52 -10.1 7.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.954 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -111.97 -19.62 12.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -91.78 -30.25 16.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.846 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -59.32 155.23 37.5 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.625 0.726 . . . . 0.0 110.928 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 25.07 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.765 HG11 ' HA ' ' A' ' 81' ' ' ALA . 5.7 t -119.82 170.13 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.618 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -112.2 -165.72 17.36 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.509 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 78' ' ' GLY . 71.1 p -34.45 -48.33 0.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.864 0.364 . . . . 0.0 111.135 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.1 m -89.41 95.46 10.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.765 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -98.23 148.2 23.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.6 m -126.15 126.39 44.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.145 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.715 HD13 HD13 ' A' ' 57' ' ' LEU . 28.7 mt -120.68 137.36 54.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.541 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 85.2 m-85 -103.08 140.57 37.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.559 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 1.2 t80 -97.61 145.27 26.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.442 ' N ' ' CD1' ' A' ' 85' ' ' PHE . 8.2 tpp180 -130.17 135.46 48.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -82.81 118.12 23.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.638 HD23 ' O ' ' A' ' 54' ' ' ARG . 3.4 mm? . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.6 p -100.25 156.2 17.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.891 0.377 . . . . 0.0 110.801 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 m -95.79 143.89 26.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 41.99 -122.22 2.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.4 t -104.14 -59.28 1.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 110.856 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -91.38 166.29 12.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.5 -102.19 0.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.444 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.06 103.51 15.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -110.4 89.87 3.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -96.7 -179.67 4.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.828 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.504 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.3 m-85 -92.08 144.41 25.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -103.53 109.96 21.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.531 HG22 ' HB3' ' A' ' 81' ' ' ALA . 98.7 t -119.9 108.25 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.116 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -103.09 101.55 11.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 83.8 mt -73.94 99.43 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.544 HD23 ' HA ' ' A' ' 23' ' ' LYS . 56.4 mt -99.73 169.85 8.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.532 ' OD2' HG22 ' A' ' 20' ' ' THR . 20.5 t0 -85.7 157.45 20.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.68 -5.17 58.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.07 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -115.56 -75.34 0.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.657 HG23 ' H ' ' A' ' 22' ' ' GLU . 9.8 t -82.49 -11.09 58.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.438 ' O ' HD22 ' A' ' 16' ' ' LEU . 2.1 mtm105 55.06 26.19 7.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.657 ' H ' HG23 ' A' ' 20' ' ' THR . 18.8 mt-10 -68.77 131.63 45.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.544 ' HA ' HD23 ' A' ' 16' ' ' LEU . 3.4 tppp? -55.61 109.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.0 mt -92.69 -48.21 6.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.84 154.15 39.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.924 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -134.93 102.78 5.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.6 mt -103.56 102.09 11.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -99.53 2.41 44.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -116.99 38.57 3.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.762 HG11 HD11 ' A' ' 72' ' ' LEU . 21.0 t -90.9 154.0 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -94.6 144.77 28.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.639 0.733 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.504 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 54.0 Cg_endo -69.84 -30.99 21.03 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.325 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -83.0 -16.44 47.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.27 131.07 49.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.0 p -86.42 164.93 16.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.629 HG22 ' HE2' ' A' ' 40' ' ' LYS . 43.2 mm -52.62 -38.16 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.48 -46.22 73.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.108 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.43 -41.94 98.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.701 ' HA ' HD12 ' A' ' 42' ' ' LEU . 49.0 mm -48.36 -47.52 14.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.629 ' HE2' HG22 ' A' ' 36' ' ' ILE . 2.2 mptp? -53.52 -52.91 58.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -49.62 -48.0 49.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.701 HD12 ' HA ' ' A' ' 39' ' ' ILE . 20.6 mt -49.71 -52.58 30.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.502 ' CE1' ' OE1' ' A' ' 55' ' ' GLN . 3.9 t80 -60.0 -38.08 81.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 45' ' ' LYS . 2.3 m -62.4 -44.71 95.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 44' ' ' THR . 58.7 mttp -36.48 -67.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.509 HG22 ' CD2' ' A' ' 47' ' ' HIS . 32.9 m -58.84 -54.22 49.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.509 ' CD2' HG22 ' A' ' 46' ' ' THR . 16.4 m170 -108.86 96.75 21.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.598 0.713 . . . . 0.0 110.859 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 54.0 Cg_endo -69.77 -39.31 6.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.695 2.264 . . . . 0.0 112.352 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -52.9 -39.79 63.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -78.38 98.12 5.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -78.41 160.23 73.19 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.664 0.745 . . . . 0.0 110.895 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -28.64 24.88 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.332 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.65 -19.28 62.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.084 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.445 ' O ' HD12 ' A' ' 88' ' ' LEU . 18.9 ttt-85 -104.39 -45.93 4.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.502 ' OE1' ' CE1' ' A' ' 43' ' ' PHE . 33.7 mt-30 -62.97 109.77 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.3 t -99.39 145.97 26.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.8 mt -133.0 134.38 44.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -147.09 146.83 30.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.6 mt -65.23 -25.91 67.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -145.36 152.03 49.03 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.617 0.722 . . . . 0.0 110.838 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.571 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.73 -13.25 34.47 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.318 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -125.67 27.24 6.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -103.51 -122.86 5.17 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.485 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -137.52 -176.15 4.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.33 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.1 p -86.25 121.63 29.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.0 mt -64.58 161.22 17.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -133.14 149.9 52.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 69' ' ' GLU . 3.9 p30 -42.69 -49.32 5.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 68' ' ' ASP . 10.1 pt-20 -35.9 -39.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.426 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 1.2 m-20 -61.81 149.84 38.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.2 t -133.11 153.34 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.762 HD11 HG11 ' A' ' 30' ' ' VAL . 13.1 mt -65.32 -11.77 45.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -111.53 -19.01 12.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.7 mmtt -94.05 -28.64 15.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.851 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -58.66 155.06 32.0 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.642 0.734 . . . . 0.0 110.877 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 25.11 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.809 HG11 ' HA ' ' A' ' 81' ' ' ALA . 5.7 t -119.46 169.73 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.599 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -110.06 -164.5 19.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.462 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 36.1 p -40.77 -38.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 111.132 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 28.0 m -94.7 89.17 5.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.809 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -90.45 143.86 26.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.1 m -124.48 121.91 36.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 36.7 mt -114.98 132.25 56.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.571 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 72.0 m-85 -96.23 143.67 27.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.618 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.1 OUTLIER -105.82 142.09 36.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.844 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -133.02 119.26 19.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.0 112.66 3.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 54' ' ' ARG . 87.2 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 p -105.45 -55.68 2.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.89 0.376 . . . . 0.0 110.885 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.8 p -117.31 105.06 11.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.82 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.07 -114.12 3.85 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 m 46.0 41.57 8.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.909 0.385 . . . . 0.0 110.87 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.6 m -83.3 157.95 22.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.34 -163.45 54.62 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.447 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -38.63 129.16 1.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -115.27 96.21 5.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -55.53 177.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.508 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -92.31 139.21 30.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -102.31 110.02 21.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.522 HG22 ' HB3' ' A' ' 81' ' ' ALA . 86.1 t -117.82 120.89 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -108.85 99.7 9.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.4 mt -74.99 104.0 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' A' ' 23' ' ' LYS . 21.0 mt -103.3 171.99 7.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -89.62 155.27 19.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.814 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.05 3.12 54.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -125.03 -64.92 1.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 64.9 p -88.06 -9.21 54.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.106 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 45.69 46.32 11.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -101.19 135.79 42.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.497 ' HA ' HD23 ' A' ' 16' ' ' LEU . 5.0 tppt? -53.65 108.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.9 mt -93.2 -39.11 11.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t -160.1 141.47 12.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -123.81 106.2 10.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.0 mt -102.43 98.77 8.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -93.14 8.85 38.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -127.37 46.91 2.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.682 HG11 HD11 ' A' ' 72' ' ' LEU . 29.3 t -100.85 143.21 14.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -81.63 145.53 54.79 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.632 0.73 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.508 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.81 -32.7 17.85 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.634 2.223 . . . . 0.0 112.333 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -82.94 -7.72 59.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.37 128.68 36.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 77.5 p -85.35 155.96 21.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.443 ' CG1' ' HB2' ' A' ' 70' ' ' ASP . 48.9 mm -43.51 -40.61 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.06 -50.07 62.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -59.21 -39.14 81.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.492 ' HA ' HD12 ' A' ' 42' ' ' LEU . 46.3 mm -54.5 -49.62 64.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -54.85 -43.66 73.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -57.81 -55.02 40.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 39' ' ' ILE . 24.2 mt -44.49 -59.52 2.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.483 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 4.4 t80 -50.7 -35.06 29.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 45' ' ' LYS . 16.7 m -63.34 -40.85 98.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 44' ' ' THR . 29.6 mtmt -34.4 -69.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.584 HG23 ' CD2' ' A' ' 47' ' ' HIS . 1.1 t -56.02 -47.2 78.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.584 ' CD2' HG23 ' A' ' 46' ' ' THR . 52.9 m170 -113.0 95.86 36.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.591 0.71 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.8 Cg_endo -69.75 -37.13 9.61 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -56.7 -33.19 66.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.401 ' CD1' ' N ' ' A' ' 50' ' ' TRP . 12.8 m0 -81.2 88.65 6.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -69.45 160.33 79.74 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.712 0.768 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -37.93 8.39 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.66 -23.84 1.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -102.43 -56.69 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.483 ' OE1' ' CD1' ' A' ' 43' ' ' PHE . 28.2 mt-30 -44.89 105.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 t -98.87 148.98 23.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.8 mt -131.71 143.11 50.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -152.23 141.45 21.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.432 HD21 HD21 ' A' ' 66' ' ' LEU . 4.5 mt -65.26 -15.91 63.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -158.06 153.33 21.89 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.607 0.718 . . . . 0.0 110.851 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.546 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 54.0 Cg_endo -69.73 -10.36 28.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.657 2.238 . . . . 0.0 112.386 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -126.23 19.41 7.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -97.96 -137.95 9.94 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.438 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.423 ' HD3' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -118.56 179.25 4.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.762 0.315 . . . . 0.0 110.887 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.5 p -85.69 103.44 14.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.809 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.432 HD21 HD21 ' A' ' 59' ' ' LEU . 9.3 mt -46.11 157.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -133.04 150.04 52.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 69' ' ' GLU . 2.0 p30 -40.16 -52.01 2.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.461 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 9.5 pt-20 -34.93 -39.62 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.443 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 0.9 OUTLIER -59.63 148.24 34.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -134.34 152.48 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.183 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.682 HD11 HG11 ' A' ' 30' ' ' VAL . 14.0 mt -65.02 -12.37 49.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -111.01 -16.59 13.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt -96.52 -28.37 14.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.849 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -59.22 155.17 36.81 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.66 0.743 . . . . 0.0 110.874 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 24.97 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.669 2.246 . . . . 0.0 112.332 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.776 HG11 ' HA ' ' A' ' 81' ' ' ALA . 3.8 t -119.73 170.95 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.644 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -112.28 -162.75 16.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.5 p -39.4 -36.52 0.37 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.848 0.356 . . . . 0.0 111.144 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.0 m -98.28 94.79 6.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.162 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.776 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -97.75 143.09 28.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.3 m -121.71 122.03 38.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 50.6 mt -117.0 137.2 52.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.546 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 83.5 m-85 -103.47 136.33 43.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -95.96 141.41 29.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.479 ' O ' ' CD1' ' A' ' 88' ' ' LEU . 4.4 tpm_? -133.4 119.51 19.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.76 124.13 23.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.479 ' CD1' ' O ' ' A' ' 86' ' ' ARG . 10.8 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -139.77 120.46 14.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.933 0.396 . . . . 0.0 110.848 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 m -93.1 85.75 5.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.34 135.55 15.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.474 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 m -95.21 135.46 36.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.387 . . . . 0.0 110.838 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -42.29 -45.06 4.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.5 -85.57 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.519 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.1 mpp? -102.65 148.48 25.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -98.98 88.63 4.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -86.53 173.35 9.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.508 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -90.33 138.32 31.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -100.01 110.12 22.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.711 HG22 ' HB3' ' A' ' 81' ' ' ALA . 79.8 t -118.75 116.88 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.084 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -110.0 100.03 9.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.417 HD12 ' HD2' ' A' ' 43' ' ' PHE . 68.1 mt -73.36 99.83 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 23' ' ' LYS . 30.9 mt -98.7 170.68 8.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -88.82 155.4 19.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.1 -1.44 57.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -118.47 -67.15 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.9 p -88.15 -10.09 51.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.0 mtm-85 47.49 47.29 17.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -99.49 137.25 38.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.446 ' HA ' HD23 ' A' ' 16' ' ' LEU . 2.9 tppp? -57.24 107.79 0.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.5 mt -93.12 -37.66 12.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -158.56 140.52 13.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -124.06 109.98 14.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.1 mt -109.63 101.17 10.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -97.43 9.75 41.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.797 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -124.96 40.7 3.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.438 HG11 HD11 ' A' ' 72' ' ' LEU . 20.8 t -96.5 145.69 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -84.96 149.18 52.69 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.662 0.744 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.508 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.8 Cg_endo -69.76 -37.67 8.84 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -77.3 -5.89 51.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.819 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.88 129.01 38.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.472 HG22 HG22 ' A' ' 71' ' ' VAL . 73.2 p -92.05 156.01 17.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.117 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.501 HG22 ' HE2' ' A' ' 40' ' ' LYS . 49.4 mm -41.36 -44.42 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.88 -52.05 15.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -61.31 -45.06 96.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.603 ' HA ' HD12 ' A' ' 42' ' ' LEU . 48.2 mm -47.1 -48.93 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.501 ' HE2' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -54.15 -48.51 70.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -51.84 -53.55 39.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 39' ' ' ILE . 10.6 mt -45.65 -61.33 1.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.417 ' HD2' HD12 ' A' ' 15' ' ' ILE . 4.4 t80 -50.16 -37.02 32.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 45' ' ' LYS . 1.9 m -58.82 -43.68 90.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.154 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 44' ' ' THR . 26.9 mttm -36.6 -67.8 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.6 m -59.17 -59.01 6.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.145 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 31.2 m-70 -102.51 96.66 7.66 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.617 0.722 . . . . 0.0 110.856 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.8 Cg_endo -69.71 -39.7 6.28 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -50.95 -28.04 8.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.404 ' O ' HG23 ' A' ' 44' ' ' THR . 18.6 m0 -87.67 116.24 25.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.477 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -98.45 160.77 27.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.678 0.751 . . . . 0.0 110.924 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -28.21 25.84 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.382 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.1 -34.59 78.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.477 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 9.2 ttm180 -90.42 -53.02 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -50.02 114.33 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 t -107.5 139.1 42.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.426 HD12 HG23 ' A' ' 36' ' ' ILE . 68.9 mt -122.78 142.65 50.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -149.55 138.19 20.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.4 mt -62.49 -25.4 67.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.87 150.29 49.24 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.614 0.721 . . . . 0.0 110.843 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.569 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.9 Cg_endo -69.77 -11.62 31.2 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 pttm -125.85 23.0 7.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -100.22 -119.78 4.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -142.48 -179.19 6.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.782 0.325 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.9 p -78.96 129.66 34.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.8 mt -74.05 160.62 31.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -131.93 151.53 51.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 70' ' ' ASP . 2.0 m-20 -46.28 -48.05 18.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -38.96 -27.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 68' ' ' ASP . 1.8 m-20 -72.85 145.01 47.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.472 HG22 HG22 ' A' ' 35' ' ' THR . 3.0 t -129.48 152.23 36.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.438 HD11 HG11 ' A' ' 30' ' ' VAL . 12.4 mt -64.34 -11.47 32.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -111.47 -17.36 13.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -95.19 -29.45 14.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.816 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -58.82 155.43 31.28 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.649 0.738 . . . . 0.0 110.907 179.886 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 25.76 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.244 . . . . 0.0 112.395 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.678 HG11 ' HA ' ' A' ' 81' ' ' ALA . 21.3 t -121.14 167.61 14.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.6 ' N ' HG12 ' A' ' 77' ' ' VAL . . . -107.54 -161.68 21.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 47.3 p -40.12 -45.36 1.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.361 . . . . 0.0 111.142 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 35.2 m -86.48 92.74 8.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.711 ' HB3' HG22 ' A' ' 13' ' ' VAL . . . -91.85 139.55 30.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.07 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.3 m -123.92 117.93 25.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.181 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.411 HD13 HD13 ' A' ' 57' ' ' LEU . 23.1 mt -114.1 140.66 48.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.569 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 75.0 m-85 -105.58 138.56 41.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.585 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -100.17 138.48 37.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.64 ' HG3' HD12 ' A' ' 88' ' ' LEU . 13.5 tpt180 -133.05 134.8 44.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.15 120.36 23.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.64 HD12 ' HG3' ' A' ' 86' ' ' ARG . 7.8 mp . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -149.33 177.0 10.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.903 0.382 . . . . 0.0 110.883 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.8 m -113.5 -52.91 2.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.17 169.25 43.25 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.502 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 m -82.58 136.82 34.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.373 . . . . 0.0 110.905 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 m -89.59 -49.38 6.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.53 -125.37 5.29 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.41 148.0 49.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.884 0.373 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -115.58 45.03 1.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.7 m80 -55.2 -175.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.8 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.561 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 2.9 m-85 -101.41 142.94 32.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -102.78 109.95 21.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.517 HG22 ' HB3' ' A' ' 81' ' ' ALA . 98.5 t -119.12 124.56 73.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.123 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -113.82 100.28 8.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.0 mt -74.78 99.23 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 23' ' ' LYS . 12.0 mt -97.97 169.88 9.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.938 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -88.13 157.32 18.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.0 -4.76 58.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -114.29 -74.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.0 p -79.92 -12.07 59.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.5 mtm105 47.99 52.35 13.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -105.89 137.99 42.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.451 ' HA ' HD23 ' A' ' 16' ' ' LEU . 5.9 tppt? -55.72 104.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.7 mt -92.24 -29.77 16.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.931 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -163.69 143.27 8.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -129.71 102.98 6.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.447 HD13 HD13 ' A' ' 42' ' ' LEU . 15.1 mt -99.93 103.31 14.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -98.48 6.67 47.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -121.25 39.87 3.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.703 HG11 HD11 ' A' ' 72' ' ' LEU . 14.2 t -96.61 143.3 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.112 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -83.08 148.31 56.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.561 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.7 Cg_endo -69.77 -29.68 23.45 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.718 2.279 . . . . 0.0 112.377 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -86.18 -9.4 56.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.31 135.73 57.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.5 p -93.23 159.36 15.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.67 HG22 ' HE3' ' A' ' 40' ' ' LYS . 45.4 mm -46.34 -42.9 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.426 ' HB2' ' HB3' ' A' ' 68' ' ' ASP . . . -48.23 -53.57 16.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -58.29 -40.9 83.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.659 ' HA ' HD12 ' A' ' 42' ' ' LEU . 35.8 mm -52.87 -55.49 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.67 ' HE3' HG22 ' A' ' 36' ' ' ILE . 41.3 mttt -49.43 -47.1 48.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -52.12 -51.82 55.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' A' ' 39' ' ' ILE . 15.4 mt -46.68 -62.55 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.433 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 5.6 t80 -48.15 -30.53 4.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.4 m -69.79 -40.65 75.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -38.66 -61.02 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.1 m -61.31 -60.14 4.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.189 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 41.8 m-70 -100.8 99.06 9.38 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.61 0.719 . . . . 0.0 110.867 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 54.1 Cg_endo -69.68 -42.0 3.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.758 2.305 . . . . 0.0 112.349 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -50.46 -33.94 22.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.405 ' CE3' ' CE1' ' A' ' 43' ' ' PHE . 18.1 m0 -81.96 115.56 21.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.494 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -97.44 159.6 30.77 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.672 0.748 . . . . 0.0 110.909 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -28.78 24.46 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.63 2.22 . . . . 0.0 112.35 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.42 -30.84 71.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.089 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.865 ' O ' HD23 ' A' ' 88' ' ' LEU . 7.2 ttm180 -90.6 -42.83 10.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -64.54 139.64 58.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.9 t -130.73 126.64 36.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.4 mt -105.6 138.13 42.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.951 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -146.02 136.67 24.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.7 mt -62.46 -22.2 66.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -147.62 150.74 37.58 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.572 0.701 . . . . 0.0 110.895 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.561 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.8 Cg_endo -69.74 -11.48 30.95 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.01 18.86 8.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -97.99 -125.89 5.33 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -137.29 -176.87 4.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.808 0.337 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.4 p -80.11 137.25 36.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.0 mt -80.95 161.46 24.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -133.4 150.52 51.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 70' ' ' ASP . 0.9 OUTLIER -44.08 -50.26 8.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' ASP . 8.4 pt-20 -34.88 -34.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' ASP . 42.9 m-20 -67.8 143.95 55.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.2 t -129.93 153.22 38.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.703 HD11 HG11 ' A' ' 30' ' ' VAL . 17.6 mt -63.89 -12.2 34.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -111.02 -15.4 13.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -97.2 -29.04 13.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.832 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -59.67 155.48 39.68 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.619 0.723 . . . . 0.0 110.917 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 25.34 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.342 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.721 HG11 ' HA ' ' A' ' 81' ' ' ALA . 3.7 t -120.67 170.81 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.641 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -110.51 -165.43 19.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 78' ' ' GLY . 36.3 p -34.77 -51.36 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 111.138 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.2 m -88.14 98.77 11.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.721 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -98.93 151.51 20.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.093 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.4 m -127.53 129.34 47.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.158 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 32.2 mt -122.25 141.96 50.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.561 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 73.7 m-85 -107.07 134.97 49.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.509 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -97.75 145.34 26.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.474 ' O ' ' CD2' ' A' ' 88' ' ' LEU . 8.2 tpt180 -137.23 123.53 20.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.499 ' C ' HD22 ' A' ' 88' ' ' LEU . 1.2 t70 -73.56 134.88 43.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.865 HD23 ' O ' ' A' ' 54' ' ' ARG . 2.5 mm? . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -150.8 123.37 8.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 110.837 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -56.05 -49.09 74.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.65 163.38 37.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.451 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.0 p 45.09 42.71 6.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.881 0.372 . . . . 0.0 110.873 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.6 p -168.72 137.45 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.04 136.49 3.31 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.6 tpt -108.54 151.59 25.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.794 0.331 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -91.68 79.55 5.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.439 ' CG ' ' HA ' ' A' ' 29' ' ' LYS . 12.3 m80 -133.72 179.52 6.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.54 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.5 m-85 -97.91 144.23 27.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -103.42 109.86 21.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.5 HG22 ' HB3' ' A' ' 81' ' ' ALA . 99.5 t -119.46 116.52 51.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -109.72 101.5 10.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.5 mt -74.92 98.49 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.536 HD23 ' HA ' ' A' ' 23' ' ' LYS . 51.8 mt -97.77 167.59 10.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -85.74 157.53 20.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.29 -2.24 57.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.9 ttmt -119.42 -66.16 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.9 p -87.82 -3.94 58.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 mtm-85 42.33 33.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -84.2 139.83 32.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.536 ' HA ' HD23 ' A' ' 16' ' ' LEU . 3.0 tppp? -60.59 109.55 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.0 mt -91.68 -44.08 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.8 t -153.75 153.97 33.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -135.37 107.14 7.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.3 mt -107.69 106.02 16.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -100.44 2.3 42.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.439 ' HA ' ' CG ' ' A' ' 10' ' ' HIS . 1.7 mppt? -118.48 40.87 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.5 HG11 HD11 ' A' ' 72' ' ' LEU . 24.2 t -95.66 147.07 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -85.54 147.35 46.43 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.668 0.747 . . . . 0.0 110.842 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.54 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.8 -30.76 21.59 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.734 2.289 . . . . 0.0 112.315 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -83.12 -8.41 59.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.42 127.27 30.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.5 p -89.09 153.39 21.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.437 HG22 ' HE3' ' A' ' 40' ' ' LYS . 45.7 mm -42.9 -38.27 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.456 ' HB2' ' HB3' ' A' ' 68' ' ' ASP . . . -54.48 -44.79 72.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.11 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -69.4 -41.85 75.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.429 ' HA ' HD12 ' A' ' 42' ' ' LEU . 45.0 mm -50.24 -43.22 21.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.548 ' CE ' HD12 ' A' ' 57' ' ' LEU . 2.1 mptm? -57.59 -46.37 84.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -53.87 -54.94 31.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 39' ' ' ILE . 18.4 mt -43.13 -49.22 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.503 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 5.4 t80 -63.31 -40.89 98.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.4 m -62.83 -37.26 86.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.206 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -39.05 -65.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.4 m -61.01 -56.44 21.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.433 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 10.2 m170 -103.06 95.84 7.18 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.572 0.701 . . . . 0.0 110.832 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 54.2 Cg_endo -69.76 -38.35 7.91 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.642 2.228 . . . . 0.0 112.368 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -56.93 -32.08 65.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 17.9 m0 -83.93 93.0 7.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -73.64 159.78 83.71 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.674 0.75 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -39.67 6.11 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.285 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -45.95 -23.45 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.622 ' O ' HD23 ' A' ' 88' ' ' LEU . 7.8 ttt85 -103.27 -37.46 7.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.503 ' OE1' ' CD1' ' A' ' 43' ' ' PHE . 32.0 mt-30 -64.56 79.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.729 ' OG ' HD21 ' A' ' 88' ' ' LEU . 2.5 m -81.1 117.48 21.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.622 HD13 HD13 ' A' ' 83' ' ' LEU . 52.1 mt -102.2 144.65 30.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -149.94 140.27 22.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.521 HD21 HD21 ' A' ' 66' ' ' LEU . 6.7 mt -59.23 -10.69 3.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.499 ' HA ' ' CD2' ' A' ' 84' ' ' TYR . 8.1 m-20 -169.26 151.25 4.54 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.576 0.703 . . . . 0.0 110.901 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.589 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.4 Cg_endo -69.75 -4.35 13.84 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.327 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -127.96 24.49 6.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -114.81 -136.94 6.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.446 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.64 154.75 37.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.3 p -63.72 119.49 10.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.521 HD21 HD21 ' A' ' 59' ' ' LEU . 7.6 mt -59.16 159.91 6.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -129.2 157.78 40.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.456 ' HB3' ' HB2' ' A' ' 37' ' ' ALA . 1.4 p-10 -48.6 -48.22 39.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -40.0 -36.48 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -63.53 148.57 48.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.7 t -133.85 152.02 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.5 HD11 HG11 ' A' ' 30' ' ' VAL . 12.5 mt -63.74 -9.3 13.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -112.44 -22.94 10.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -89.82 -29.39 18.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.868 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -59.13 154.86 37.72 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.611 0.719 . . . . 0.0 110.896 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 24.8 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.723 2.282 . . . . 0.0 112.321 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.798 HG11 ' HA ' ' A' ' 81' ' ' ALA . 5.8 t -118.65 169.87 8.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.603 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -109.01 -166.65 20.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 78' ' ' GLY . 20.3 p -36.32 -42.8 0.34 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.864 0.364 . . . . 0.0 111.155 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 63.5 m -94.2 98.14 10.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.798 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -97.95 152.36 19.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.0 m -130.98 126.4 35.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.622 HD13 HD13 ' A' ' 57' ' ' LEU . 46.9 mt -115.01 150.24 36.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.589 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 65.8 m-85 -117.26 133.24 56.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.521 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 2.4 t80 -94.42 131.1 40.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -124.64 128.37 48.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.76 128.17 35.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.729 HD21 ' OG ' ' A' ' 56' ' ' SER . 4.4 mm? . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 t -82.36 -59.21 2.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.909 0.385 . . . . 0.0 110.844 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 p -81.09 120.44 24.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.31 -151.5 9.37 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.0 m -118.1 159.72 22.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.898 0.38 . . . . 0.0 110.844 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -84.48 152.11 24.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.06 125.99 0.87 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -128.39 132.83 48.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.3 pttt -100.09 42.17 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.483 ' CG ' ' HA ' ' A' ' 29' ' ' LYS . 12.3 m80 -132.52 179.32 6.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.536 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 4.5 m-85 -97.83 136.56 37.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -100.03 109.93 22.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.506 HG22 ' HB3' ' A' ' 81' ' ' ALA . 95.5 t -116.14 116.17 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -102.49 95.99 6.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.2 mt -75.17 98.57 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.127 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.8 mt -97.95 168.76 10.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -83.77 157.19 22.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 85' ' ' PHE . . . -89.49 -1.12 57.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.3 tptp -122.54 -63.51 1.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.3 p -87.3 -7.1 58.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.9 mtt85 42.24 51.18 4.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -106.25 142.29 36.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.85 101.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.5 mt -89.14 -35.27 16.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.8 t -156.24 141.58 17.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -128.49 100.71 5.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.403 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 17.2 mt -99.95 100.36 11.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -97.24 13.48 29.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.483 ' HA ' ' CG ' ' A' ' 10' ' ' HIS . 3.1 mppt? -130.44 38.78 3.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.474 HG11 HD11 ' A' ' 72' ' ' LEU . 45.7 t -93.64 150.33 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -88.34 147.96 41.34 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.665 0.745 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.536 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.7 -34.8 14.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.718 2.279 . . . . 0.0 112.341 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -79.05 -6.84 57.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.08 132.28 48.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.463 HG22 HG22 ' A' ' 71' ' ' VAL . 73.9 p -93.47 151.52 19.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.161 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.423 HG22 ' HE2' ' A' ' 40' ' ' LYS . 44.3 mm -38.99 -37.7 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.102 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.4 -46.76 76.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -62.87 -45.48 92.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.5 mm -47.48 -47.54 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.423 ' HE2' HG22 ' A' ' 36' ' ' ILE . 26.6 mttm -58.01 -44.44 87.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -53.89 -51.34 64.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.87 HD23 ' CE ' ' A' ' 45' ' ' LYS . 10.2 mt -51.07 -55.11 19.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.949 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.601 ' CE1' ' OE1' ' A' ' 55' ' ' GLN . 8.3 t80 -51.27 -29.03 13.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.93 -43.28 45.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.172 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.87 ' CE ' HD23 ' A' ' 42' ' ' LEU . 20.6 mtmm -38.01 -53.98 1.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.6 m -70.8 -54.24 12.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -105.51 95.95 11.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.631 0.729 . . . . 0.0 110.865 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -33.24 16.99 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.686 2.257 . . . . 0.0 112.324 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -61.77 -31.28 71.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 14.5 m0 -85.78 113.41 21.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.5 OUTLIER -91.27 160.58 36.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.681 0.753 . . . . 0.0 110.928 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -28.38 25.17 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.08 -26.06 67.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.599 ' O ' HD23 ' A' ' 88' ' ' LEU . 26.0 ttt180 -91.24 -54.36 3.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.601 ' OE1' ' CE1' ' A' ' 43' ' ' PHE . 36.4 mt-30 -59.54 116.88 4.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 t -115.19 108.95 17.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.496 HD13 HD13 ' A' ' 83' ' ' LEU . 22.6 mt -86.75 142.39 28.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -150.62 138.76 20.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.446 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 8.5 mt -57.53 -11.99 2.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.446 ' CG ' ' O ' ' A' ' 59' ' ' LEU . 9.7 m-20 -166.78 149.59 6.05 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.584 0.707 . . . . 0.0 110.876 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.58 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.6 Cg_endo -69.75 -3.94 13.01 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.8 pttt -126.76 26.52 6.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -116.24 -125.73 3.83 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.546 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -141.08 154.57 46.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.802 0.335 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 84.2 p -58.13 129.87 43.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.407 HD11 ' CD2' ' A' ' 59' ' ' LEU . 7.4 mt -70.52 159.2 34.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -120.46 150.1 41.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 69' ' ' GLU . 5.3 p-10 -42.3 -50.18 5.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.846 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 68' ' ' ASP . 23.8 pt-20 -35.33 -41.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -62.21 146.13 51.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.463 HG22 HG22 ' A' ' 35' ' ' THR . 9.8 t -132.48 154.86 40.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.474 HD11 HG11 ' A' ' 30' ' ' VAL . 15.2 mt -66.69 -6.75 16.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -113.6 -20.02 11.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -97.28 -26.46 14.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.842 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -58.67 155.24 31.06 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.583 0.706 . . . . 0.0 110.923 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 25.35 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.643 2.229 . . . . 0.0 112.295 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.801 HG11 ' HA ' ' A' ' 81' ' ' ALA . 5.3 t -120.22 170.21 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.613 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -109.35 -163.9 20.03 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.2 p -38.35 -42.14 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.359 . . . . 0.0 111.128 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.1 m -95.04 98.96 11.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.801 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -97.79 151.07 20.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 65.4 m -129.24 130.02 45.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.496 HD13 HD13 ' A' ' 57' ' ' LEU . 21.4 mt -121.48 147.66 45.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.58 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 72.2 m-85 -115.14 131.4 56.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.615 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.1 OUTLIER -95.15 152.48 18.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.883 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.472 ' N ' ' CD1' ' A' ' 85' ' ' PHE . 8.0 tpt180 -135.67 134.01 38.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -82.11 116.08 21.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.601 HD22 ' N ' ' A' ' 88' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.7 p -104.5 168.28 9.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.896 0.379 . . . . 0.0 110.838 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 t -82.34 167.59 18.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.19 161.59 34.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.525 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -112.94 82.04 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.835 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.4 p -71.49 119.84 16.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.7 -117.01 0.4 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.3 mmt -65.11 124.57 22.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.871 0.367 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -114.76 93.3 4.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -133.53 176.86 8.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 4.0 m-85 -87.56 137.63 32.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -99.58 110.34 22.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.458 HG22 ' HB3' ' A' ' 81' ' ' ALA . 97.3 t -120.0 116.31 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.095 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.7 pm0 -107.61 102.59 11.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.5 mt -76.22 105.81 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.557 HD23 ' HA ' ' A' ' 23' ' ' LYS . 55.3 mt -107.15 174.4 5.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.431 ' OD2' HG22 ' A' ' 20' ' ' THR . 25.2 t0 -90.81 157.54 17.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.44 0.37 56.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -120.01 -69.12 0.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.665 HG23 ' HG2' ' A' ' 22' ' ' GLU . 5.1 t -90.03 -2.81 58.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.138 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.8 mtt85 44.06 25.71 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.665 ' HG2' HG23 ' A' ' 20' ' ' THR . 13.0 pt-20 -71.0 131.41 43.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.557 ' HA ' HD23 ' A' ' 16' ' ' LEU . 2.7 tppt? -53.34 115.67 2.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.0 mt -99.39 -46.33 5.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.0 t -153.31 150.92 29.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -132.54 108.03 8.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.7 mt -108.27 100.89 10.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.4 p30 -98.26 15.2 25.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -130.38 42.22 3.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.46 HG11 HD11 ' A' ' 72' ' ' LEU . 21.8 t -97.96 150.02 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -88.4 148.57 42.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.595 0.712 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.551 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.7 Cg_endo -69.78 -39.78 6.08 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.339 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -75.44 -6.63 51.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.75 132.09 48.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.0 p -93.57 157.63 16.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.422 ' CG2' ' HE3' ' A' ' 40' ' ' LYS . 27.6 mm -44.57 -41.17 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.1 -47.72 61.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.6 -50.48 69.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.681 ' HA ' HD12 ' A' ' 42' ' ' LEU . 47.4 mm -42.49 -49.05 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.422 ' HE3' ' CG2' ' A' ' 36' ' ' ILE . 1.9 mptm? -53.28 -45.41 68.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -57.79 -53.11 61.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' A' ' 39' ' ' ILE . 17.2 mt -44.83 -48.82 11.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -62.09 -42.58 99.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 45' ' ' LYS . 3.3 m -56.84 -41.87 78.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 44' ' ' THR . 30.8 mtpt -34.9 -66.3 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 40.8 m -62.97 -52.19 63.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.419 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 30.0 m-70 -108.03 93.66 11.35 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.538 0.685 . . . . 0.0 110.836 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 54.0 Cg_endo -69.78 -41.45 4.24 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.718 2.279 . . . . 0.0 112.34 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -49.35 -33.12 12.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 15.2 m0 -84.83 99.06 10.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -77.99 160.38 73.95 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.65 0.738 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -30.33 22.49 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.269 . . . . 0.0 112.348 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.36 -24.21 59.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -100.56 -58.27 1.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -46.04 106.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 t -103.16 137.92 40.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.418 ' C ' ' HG3' ' A' ' 58' ' ' ARG . 82.3 mt -120.54 144.28 48.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.418 ' HG3' ' C ' ' A' ' 57' ' ' LEU . 5.4 mtt-85 -144.91 138.66 27.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.506 ' HG ' HD11 ' A' ' 66' ' ' LEU . 11.3 mt -63.09 -18.2 63.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -154.76 152.96 26.86 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.618 0.723 . . . . 0.0 110.87 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.556 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 54.0 Cg_endo -69.75 -15.47 37.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 0.0 112.346 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -123.72 31.36 5.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -113.69 -122.54 3.84 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.481 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -142.14 179.96 6.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.77 0.319 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.7 p -78.61 139.82 38.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.506 HD11 ' HG ' ' A' ' 59' ' ' LEU . 8.7 mt -82.64 159.13 22.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -128.1 152.47 47.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.945 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -42.87 -49.87 5.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.833 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 68' ' ' ASP . 11.8 pt-20 -36.31 -35.49 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -66.58 144.32 56.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 32' ' ' PRO . 2.8 t -132.65 151.3 34.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.46 HD11 HG11 ' A' ' 30' ' ' VAL . 12.5 mt -62.6 -12.32 22.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -110.92 -12.65 14.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.1 mmtt -99.82 -29.04 12.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.959 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.829 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -60.24 155.34 46.87 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.606 0.717 . . . . 0.0 110.916 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 25.31 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.649 2.233 . . . . 0.0 112.325 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.808 HG11 ' HA ' ' A' ' 81' ' ' ALA . 4.4 t -120.87 170.74 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.637 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -111.57 -161.42 16.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.472 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.9 p -41.31 -41.79 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.921 0.391 . . . . 0.0 111.161 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.3 m -94.08 91.17 6.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.808 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -94.41 150.11 20.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.5 m -127.42 121.45 30.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.16 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 17.8 mt -117.19 135.68 53.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.556 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 96.8 m-85 -101.82 141.4 34.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.554 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.6 OUTLIER -95.72 134.25 38.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -128.96 135.72 49.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -67.76 112.63 4.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.1 tp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -117.35 -45.43 2.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 110.852 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -61.42 132.25 52.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.95 72.69 0.29 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.465 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -70.36 116.71 11.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.91 0.386 . . . . 0.0 110.833 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.6 p -140.03 169.11 18.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.826 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.66 -103.64 0.17 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.491 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -106.81 103.66 13.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.6 tttp -128.83 86.67 2.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.601 ' CD2' ' O ' ' A' ' 30' ' ' VAL . 1.0 OUTLIER -73.93 -174.63 1.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.526 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 6.8 m-85 -59.92 131.11 49.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 18.3 mp0 -97.22 109.95 22.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.542 ' CG2' HG21 ' A' ' 30' ' ' VAL . 46.9 t -117.44 111.62 35.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.142 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -112.22 109.54 19.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 98.1 mt -82.71 98.02 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 23' ' ' LYS . 27.1 mt -94.29 167.52 11.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -84.54 153.09 23.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.79 6.59 43.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -127.71 -56.79 1.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.5 p -95.56 -11.3 27.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 48.21 49.54 17.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -107.06 139.99 40.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.417 ' HA ' HD23 ' A' ' 16' ' ' LEU . 5.5 tppt? -57.72 109.74 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.4 mt -98.24 -37.06 9.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.8 t -152.31 128.51 10.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -116.29 110.97 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.7 mt -111.96 99.8 8.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -89.84 8.89 29.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -133.06 62.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.601 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 7.4 t -106.57 146.31 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.502 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 55.9 mt-10 -83.12 142.42 44.22 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.62 0.724 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.526 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.79 -30.08 22.72 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.667 2.244 . . . . 0.0 112.376 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -87.45 -7.53 57.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.502 ' HB2' ' HB2' ' A' ' 31' ' ' GLU . . . -65.95 126.66 29.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.091 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.495 HG22 HG22 ' A' ' 71' ' ' VAL . 68.9 p -86.81 164.51 16.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.101 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.484 HG22 ' HE3' ' A' ' 40' ' ' LYS . 26.8 mm -48.96 -39.57 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.96 -44.64 70.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -67.99 -44.11 77.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.511 ' HA ' HD12 ' A' ' 42' ' ' LEU . 50.3 mm -47.75 -51.77 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.578 ' CE ' HD12 ' A' ' 57' ' ' LEU . 2.0 mptm? -51.08 -47.36 61.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -54.69 -57.76 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 39' ' ' ILE . 32.2 mt -40.4 -39.76 1.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.565 ' CE1' ' OE1' ' A' ' 55' ' ' GLN . 4.9 t80 -70.96 -52.45 19.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 45' ' ' LYS . 6.8 m -45.67 -40.9 9.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.125 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 44' ' ' THR . 22.8 mtmt -34.99 -67.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.577 HG23 ' CD2' ' A' ' 47' ' ' HIS . 1.1 t -58.49 -47.21 84.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.13 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.577 ' CD2' HG23 ' A' ' 46' ' ' THR . 61.0 m170 -114.48 94.55 36.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.531 0.682 . . . . 0.0 110.833 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.8 Cg_endo -69.78 -27.75 26.0 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 -67.66 -27.0 66.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -87.47 85.66 7.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -64.95 159.91 60.16 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.699 0.761 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -40.24 5.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -45.85 -27.86 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.8 ttt85 -98.51 -55.6 2.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.565 ' OE1' ' CE1' ' A' ' 43' ' ' PHE . 31.5 mt-30 -49.92 94.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 m -90.74 141.15 29.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.737 HD13 HD13 ' A' ' 83' ' ' LEU . 80.7 mt -124.92 141.55 52.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -146.46 161.11 41.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.448 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 4.9 mt -79.19 -6.85 57.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 59' ' ' LEU . 8.4 m-20 -173.39 147.73 1.46 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.568 0.699 . . . . 0.0 110.89 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.582 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.8 Cg_endo -69.73 -3.74 12.59 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.71 2.273 . . . . 0.0 112.372 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -124.8 22.13 8.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -114.96 -142.13 7.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.77 145.36 49.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.733 0.301 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 90.1 p -44.96 141.34 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.427 HD22 ' OD2' ' A' ' 70' ' ' ASP . 10.5 mt -81.32 160.48 24.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -116.46 153.96 31.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.43 -32.67 65.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.831 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -55.46 -21.89 18.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.427 ' OD2' HD22 ' A' ' 66' ' ' LEU . 65.1 m-20 -70.93 156.76 39.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.58 HG23 ' HE3' ' A' ' 74' ' ' LYS . 7.5 t -145.15 156.44 13.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.461 ' HA ' HD23 ' A' ' 72' ' ' LEU . 10.6 mt -68.21 -10.41 54.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -109.86 -11.36 14.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.58 ' HE3' HG23 ' A' ' 71' ' ' VAL . 4.4 mtmp? -107.16 -25.16 11.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.881 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -62.46 154.39 72.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.72 . . . . 0.0 110.904 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 24.98 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.803 HG11 ' HA ' ' A' ' 81' ' ' ALA . 5.1 t -118.33 170.04 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.176 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.607 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -108.15 -167.32 21.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.449 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 78' ' ' GLY . 13.1 p -34.06 -42.47 0.13 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.897 0.38 . . . . 0.0 111.155 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.6 m -96.01 105.48 17.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.803 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -97.12 146.56 24.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 50.3 m -127.04 115.08 18.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.737 HD13 HD13 ' A' ' 57' ' ' LEU . 88.8 mt -108.19 154.99 20.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.582 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 64.5 m-85 -118.56 137.38 53.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 1.5 t80 -94.67 130.08 41.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.407 ' HG3' HD12 ' A' ' 88' ' ' LEU . 7.0 tpt180 -121.47 121.38 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -68.51 126.09 28.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.407 HD12 ' HG3' ' A' ' 86' ' ' ARG . 10.1 mp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.9 p -84.97 171.78 11.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.918 0.39 . . . . 0.0 110.818 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.7 m -112.08 -57.07 2.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.52 129.91 1.21 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 p -70.1 -49.48 50.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.925 0.393 . . . . 0.0 110.851 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.0 m -54.55 -58.99 5.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.24 172.99 13.46 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -117.06 74.41 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -90.99 81.91 5.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -135.27 176.11 8.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.561 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.7 m-85 -92.87 138.16 31.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -100.43 110.05 22.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.579 HG22 ' HB3' ' A' ' 81' ' ' ALA . 92.1 t -117.82 120.06 63.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -109.15 104.86 14.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.9 mt -78.92 98.34 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 23' ' ' LYS . 17.9 mt -97.77 169.54 9.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -86.98 153.72 21.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.99 6.7 41.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -125.64 -62.3 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.5 p -93.64 -6.28 46.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.8 mtm-85 44.74 47.59 8.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.823 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -100.76 142.29 32.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.458 ' HA ' HD23 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -63.72 111.13 2.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.3 mt -97.72 -33.83 11.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.0 t -160.74 144.56 13.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -127.67 107.78 10.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.3 mt -104.57 96.15 6.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -97.0 20.82 10.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -133.63 34.43 3.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.5 HG11 HD11 ' A' ' 72' ' ' LEU . 15.1 t -93.48 146.13 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -85.06 152.41 58.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.671 0.748 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.561 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 54.2 Cg_endo -69.69 -38.34 8.09 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.714 2.276 . . . . 0.0 112.366 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.1 p-80 -78.45 -8.11 58.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.79 128.55 36.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 36' ' ' ILE . 72.5 p -91.64 148.26 22.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.206 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.645 HG22 ' NZ ' ' A' ' 40' ' ' LYS . 29.5 mm -35.43 -42.14 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.135 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.81 -52.26 19.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -62.95 -34.16 76.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.804 ' HA ' HD12 ' A' ' 42' ' ' LEU . 33.0 mm -55.64 -61.86 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.645 ' NZ ' HG22 ' A' ' 36' ' ' ILE . 4.3 mppt? -44.64 -46.55 10.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -54.56 -54.94 34.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.804 HD12 ' HA ' ' A' ' 39' ' ' ILE . 8.5 mt -46.12 -45.12 16.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 4.7 t80 -66.68 -32.35 73.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 45' ' ' LYS . 18.1 m -67.33 -41.24 85.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 44' ' ' THR . 35.7 mtmt -35.07 -69.15 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.2 m -54.22 -53.45 53.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.435 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 24.8 m-70 -109.51 96.65 23.74 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.594 0.712 . . . . 0.0 110.878 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 54.1 Cg_endo -69.73 -38.97 7.13 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.71 2.274 . . . . 0.0 112.347 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -53.62 -33.29 54.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -83.72 110.5 18.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.515 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -92.17 161.93 31.71 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.72 0.771 . . . . 0.0 110.896 -179.861 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -26.24 27.66 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.424 ' HB3' ' HD2' ' A' ' 51' ' ' TYR . . . -57.99 -14.13 5.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.515 ' HD2' ' CZ ' ' A' ' 51' ' ' TYR . 37.6 mtt180 -106.93 -62.32 1.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' ARG . 70.5 mt-30 -38.15 109.19 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.8 t -102.52 104.08 14.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.518 HD13 HD13 ' A' ' 83' ' ' LEU . 84.0 mt -88.84 141.23 28.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.431 ' HG3' ' C ' ' A' ' 57' ' ' LEU . 4.4 mtt180 -152.77 129.43 10.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.464 ' HG ' HD11 ' A' ' 66' ' ' LEU . 7.8 mt -55.05 -20.02 8.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -148.67 151.36 35.53 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.658 0.742 . . . . 0.0 110.857 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.555 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 54.2 Cg_endo -69.78 -12.2 32.37 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.59 21.67 8.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -102.21 -130.65 7.08 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.503 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -133.94 178.13 7.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.753 0.311 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.9 p -76.16 136.55 39.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.464 HD11 ' HG ' ' A' ' 59' ' ' LEU . 8.4 mt -81.56 159.53 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -122.38 160.54 25.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -53.92 -44.65 70.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -41.42 -31.39 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -66.88 143.31 56.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.0 t -128.25 151.74 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.5 HD11 HG11 ' A' ' 30' ' ' VAL . 12.5 mt -64.07 -10.16 20.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -112.38 -22.12 11.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -90.12 -29.8 18.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.837 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -58.62 155.23 30.66 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.609 0.719 . . . . 0.0 110.947 179.888 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 25.46 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.697 2.264 . . . . 0.0 112.287 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.778 HG11 ' HA ' ' A' ' 81' ' ' ALA . 8.1 t -120.07 169.39 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.591 ' N ' HG12 ' A' ' 77' ' ' VAL . . . -109.25 -167.1 20.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.509 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 78' ' ' GLY . 17.4 p -35.15 -47.92 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 111.13 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.2 m -89.33 95.68 10.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.778 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -95.43 147.75 23.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.058 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.9 m -126.61 130.32 50.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.518 HD13 HD13 ' A' ' 57' ' ' LEU . 63.0 mt -123.46 143.61 50.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.555 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 87.4 m-85 -109.58 133.69 52.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.566 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 0.6 OUTLIER -99.62 139.81 34.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.408 ' HG3' HD12 ' A' ' 88' ' ' LEU . 17.5 tpp85 -130.61 119.18 22.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.47 131.92 48.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.408 HD12 ' HG3' ' A' ' 86' ' ' ARG . 8.8 mp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -37.85 141.51 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 110.913 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.2 m -156.81 163.93 38.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.835 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.2 -42.45 8.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.449 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.0 m -38.18 149.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.377 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.8 m -64.92 158.9 24.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.97 -60.73 5.06 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.451 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -56.76 133.81 54.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.83 0.348 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.5 mttp -120.98 96.15 4.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -107.03 177.0 4.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.541 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 4.3 m-85 -94.11 143.53 26.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -105.49 110.06 22.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.454 HG22 ' HB3' ' A' ' 81' ' ' ALA . 74.2 t -117.08 105.69 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -98.23 102.55 14.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.7 mt -78.02 98.5 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.17 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.495 HD23 ' HA ' ' A' ' 23' ' ' LYS . 10.2 mt -100.07 171.47 7.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.452 ' OD2' HG22 ' A' ' 20' ' ' THR . 19.5 t0 -88.04 157.35 18.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.817 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.434 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . -87.11 -0.52 56.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.079 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -118.56 -75.35 0.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.952 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.707 HG23 ' H ' ' A' ' 22' ' ' GLU . 9.0 t -78.82 -18.77 53.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.198 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.443 ' O ' HD22 ' A' ' 16' ' ' LEU . 12.0 mtm180 60.32 28.97 18.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.707 ' H ' HG23 ' A' ' 20' ' ' THR . 71.2 mt-10 -75.26 139.89 42.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.495 ' HA ' HD23 ' A' ' 16' ' ' LEU . 3.8 tppp? -63.72 107.03 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.8 mt -92.26 -43.24 9.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t -151.42 145.53 25.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -132.89 99.23 4.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.7 mt -97.89 105.02 17.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.97 8.73 43.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -125.96 46.14 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.534 HG11 HD11 ' A' ' 72' ' ' LEU . 60.8 t -102.06 148.35 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -85.36 146.68 45.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.637 0.732 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.541 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.75 -34.84 13.81 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.645 2.23 . . . . 0.0 112.35 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.467 ' HA ' ' NE2' ' A' ' 73' ' ' GLN . 12.7 p-80 -82.3 1.11 38.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.67 131.28 42.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.459 HG22 HG22 ' A' ' 71' ' ' VAL . 73.6 p -89.8 155.1 19.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.191 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.579 HG22 ' HE2' ' A' ' 40' ' ' LYS . 44.0 mm -44.51 -41.07 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.11 -45.63 53.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -65.66 -47.08 76.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.628 ' HA ' HD12 ' A' ' 42' ' ' LEU . 38.4 mm -46.51 -49.68 5.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.579 ' HE2' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -50.98 -47.47 61.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.83 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -54.36 -56.57 17.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.628 HD12 ' HA ' ' A' ' 39' ' ' ILE . 10.7 mt -41.13 -56.97 2.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -54.81 -39.48 68.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.2 m -63.32 -39.42 94.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -37.28 -65.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.6 m -59.1 -60.94 3.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.186 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.438 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 36.8 m80 -102.44 96.9 7.89 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.606 0.717 . . . . 0.0 110.845 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.6 Cg_endo -69.8 -39.06 6.88 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.343 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -51.15 -30.77 17.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.4 ' N ' ' CD1' ' A' ' 50' ' ' TRP . 15.7 m0 -87.28 110.18 20.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 0.5 OUTLIER -88.47 161.19 43.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.681 0.753 . . . . 0.0 110.904 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -29.35 24.05 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.89 -25.44 65.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.576 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 25.5 ttt180 -93.25 -64.25 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -42.15 110.19 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.467 ' HB2' HD22 ' A' ' 88' ' ' LEU . 30.2 t -101.73 121.36 41.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.401 HD13 HD13 ' A' ' 83' ' ' LEU . 92.8 mt -105.92 148.42 27.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -156.69 135.85 12.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.754 HD21 HD21 ' A' ' 66' ' ' LEU . 5.7 mt -59.6 -15.6 19.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -158.07 150.63 17.93 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.604 0.716 . . . . 0.0 110.847 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.559 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.5 Cg_endo -69.8 -9.57 26.41 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.333 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -129.42 30.6 4.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -116.05 -122.27 3.43 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -138.17 174.35 10.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.5 t -79.39 141.05 37.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.754 HD21 HD21 ' A' ' 59' ' ' LEU . 7.0 mt -80.98 158.33 25.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -125.39 159.59 31.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -51.79 -38.74 56.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -47.33 -36.53 9.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.72 151.11 47.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.579 HG23 ' HE2' ' A' ' 74' ' ' LYS . 5.8 t -137.96 155.54 30.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.534 HD11 HG11 ' A' ' 30' ' ' VAL . 16.2 mt -67.33 -8.5 32.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.467 ' NE2' ' HA ' ' A' ' 33' ' ' HIS . 18.4 pt20 -113.31 -14.11 12.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.579 ' HE2' HG23 ' A' ' 71' ' ' VAL . 30.2 mtmt -103.45 -25.56 13.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.866 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -59.94 154.84 46.63 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.606 0.717 . . . . 0.0 110.911 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 24.94 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.665 2.244 . . . . 0.0 112.339 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.764 HG11 ' HA ' ' A' ' 81' ' ' ALA . 6.1 t -118.88 169.86 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.597 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -110.54 -166.31 19.22 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 78' ' ' GLY . 6.6 p -36.03 -43.38 0.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 111.164 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 28.3 m -92.48 97.08 10.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.764 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -97.1 145.45 25.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.2 m -130.17 129.33 43.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.401 HD13 HD13 ' A' ' 57' ' ' LEU . 21.0 mt -121.64 138.58 54.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.559 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 90.6 m-85 -101.37 139.28 37.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 1.5 t80 -98.99 129.68 45.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.451 ' HG3' ' CD1' ' A' ' 88' ' ' LEU . 4.5 tpt180 -122.74 137.28 54.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.56 ' O ' HD12 ' A' ' 88' ' ' LEU . 0.7 OUTLIER -73.46 120.19 18.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.56 HD12 ' O ' ' A' ' 87' ' ' ASP . 9.9 mp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -126.71 54.1 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.934 0.397 . . . . 0.0 110.899 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 m 53.07 44.9 29.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.24 -87.39 0.22 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.542 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.4 m -148.17 121.68 9.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 m -51.95 120.48 5.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.67 122.67 2.88 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.94 169.97 12.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.802 0.334 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -122.36 91.6 3.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -73.78 175.39 7.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.824 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 32' ' ' PRO . 3.8 m-85 -91.78 146.59 23.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -106.44 110.05 22.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.473 HG22 ' HB3' ' A' ' 81' ' ' ALA . 95.9 t -119.44 113.03 39.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -106.63 103.26 12.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 92.6 mt -78.19 99.04 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 23' ' ' LYS . 23.0 mt -98.33 169.52 9.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -83.64 157.29 22.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.17 -4.97 58.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.065 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -115.57 -72.65 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.2 p -78.87 -13.87 59.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 49.85 51.44 16.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -105.06 144.89 31.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.475 ' HA ' HD23 ' A' ' 16' ' ' LEU . 3.4 tppp? -60.9 108.39 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.6 mt -96.4 -39.9 9.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t -153.5 137.79 16.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -124.2 108.88 12.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.7 mt -108.73 93.93 4.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -90.41 10.5 24.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -125.88 41.72 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.562 HG11 HD11 ' A' ' 72' ' ' LEU . 24.4 t -96.86 147.43 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -85.44 149.19 51.37 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.665 0.745 . . . . 0.0 110.839 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.567 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.83 -32.21 18.73 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.334 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -82.14 -13.33 57.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.828 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.44 124.7 20.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.5 p -85.85 164.74 17.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.469 ' CG1' ' HB2' ' A' ' 70' ' ' ASP . 42.6 mm -51.02 -42.56 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.04 -47.64 53.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -63.58 -47.91 79.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 40.5 mm -46.16 -47.78 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.104 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.442 ' NZ ' ' O ' ' A' ' 55' ' ' GLN . 16.1 mttm -56.19 -44.82 79.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -54.99 -53.47 55.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 45' ' ' LYS . 15.1 mt -45.19 -64.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.421 ' CD1' ' C ' ' A' ' 43' ' ' PHE . 4.4 t80 -40.34 -34.83 0.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 45' ' ' LYS . 5.7 m -66.24 -41.72 89.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 42' ' ' LEU . 8.0 mtpm? -34.67 -63.72 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.1 m -59.89 -60.37 3.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.441 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 54.6 m-70 -105.52 99.5 21.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.562 0.696 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 47' ' ' HIS . 53.6 Cg_endo -69.77 -43.36 2.7 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.734 2.289 . . . . 0.0 112.314 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -48.59 -36.82 16.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 18.0 m0 -80.89 82.13 6.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.62 162.14 5.23 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.661 0.743 . . . . 0.0 110.929 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -21.58 33.04 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.659 2.24 . . . . 0.0 112.338 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.81 -12.01 15.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.767 ' HA ' HD12 ' A' ' 88' ' ' LEU . 25.5 mtp180 -106.11 -55.44 2.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.442 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . 59.9 mt-30 -37.12 94.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.955 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 54' ' ' ARG . 36.9 m -98.12 106.94 19.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.411 HD13 HD13 ' A' ' 83' ' ' LEU . 39.8 mt -97.69 141.43 30.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -147.86 135.56 20.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.654 ' HG ' HD21 ' A' ' 66' ' ' LEU . 35.1 mt -57.98 -19.61 31.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -155.7 151.55 22.34 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.616 0.722 . . . . 0.0 110.851 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.515 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 53.8 Cg_endo -69.76 -5.5 16.37 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.325 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -126.35 22.0 7.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -108.17 -144.86 11.34 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.77 148.65 50.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.807 0.337 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.8 p -39.78 143.17 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.654 HD21 ' HG ' ' A' ' 59' ' ' LEU . 8.7 mt -83.13 155.49 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -110.38 146.02 36.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -48.81 -36.59 17.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.834 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -48.4 -32.59 7.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.469 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 4.4 m-20 -62.63 150.86 39.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -137.62 152.24 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.166 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.562 HD11 HG11 ' A' ' 30' ' ' VAL . 16.6 mt -64.67 -12.91 51.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -110.29 -14.22 14.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.0 mmtt -98.78 -28.5 13.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.835 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -59.25 155.46 35.26 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.621 0.724 . . . . 0.0 110.906 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 25.25 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.802 HG11 ' HA ' ' A' ' 81' ' ' ALA . 6.6 t -119.44 168.09 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.569 ' N ' HG12 ' A' ' 77' ' ' VAL . . . -102.8 -149.57 21.66 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.9 p -57.75 -25.57 60.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.857 0.36 . . . . 0.0 111.179 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 55.8 m -104.68 90.31 3.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.802 ' HA ' HG11 ' A' ' 77' ' ' VAL . . . -91.73 142.82 27.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.0 m -122.91 124.96 44.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.411 HD13 HD13 ' A' ' 57' ' ' LEU . 18.4 mt -117.91 141.78 48.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.515 ' CE2' ' HD3' ' A' ' 61' ' ' PRO . 87.8 m-85 -106.43 132.7 52.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 85' ' ' PHE . 1.6 t80 -95.84 140.67 30.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -129.27 135.27 48.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -77.57 125.29 29.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.767 HD12 ' HA ' ' A' ' 54' ' ' ARG . 79.5 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 stop_ save_